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Sup 1Supplementary Information

A Stable Silicon-Based Allene Analogue with Formal sp-Hybridized Silicon Atom

S. Ishida, T. Iwamoto, C. Kabuto and M. Kira*

Department of Chemistry, Graduate School of Science, Tohoku University, Aoba-ku, Sendai

980-8578, Japan

Contents

1. Experimental details and physical data　　　 ---------- 3

• Synthesis of tetrachlorodisilane 3

• Reaction of trisilaallene 1 with water forming the corresponding 1,3-dihydroxytrisilane 5

2. Uv-vis Spectrum of Trisilaallene 1 (Fig. S1) ---------- 4

3. X-ray analysis of trisilaallene 1 ---------- 5

Crystal 1 at -150 °C ---------- 5

• Experimental details

• Atomic coordinates

• Anisotropic thermal parameters

• List of bond lengths, bond angles, and interatomic distances

• ORTEP drawing of Crystal 1 at -150 °C (Fig. S2)

Crystal 1, at -50 °C ---------- 18





Crystal 2, at -146 °C ---------- 24




Sup 2


Crystal 2, at -100 °C ---------- 30





Crystal 2, at -50 °C ---------- 36





Crystal 2, at 0 °C ---------- 42




• ORTEP drawing of Crystal 2 at 0 °C (Fig. S6)

Temperature dependence of populations of A-D isomers of 1 (Table S24) ---------- 47

4. X-ray analysis of 1,3-dihydroxytrisilane 5 ---------- 48




• List of bond lengths, bond angles, and interatomic distances

• ORTEP drawing of 5 (Fig. S8)

Sup 3

1. Experimental details and physical data

All reactions were performed using standard Schlenk techniques.

Synthesis of tetrachlorodisilane 3

When a mixture of tetrachlorosilane (0.2 ml) and tetrahydrofuran (THF, 5 ml) was

introduced into a reaction vessel containing silylene 2 (762 mg, 2.05 mmol) at room temperature,

the colour of the solution disappeared immediately. After volatiles were removed in vacuo,

tetrachlorodisilane 3 was obtained as colourless crystals (1.48 mmol, 799 mg, 72%).

Spectral data for 3: colourless crystals; 1H NMR (C6D6, �) 0.27 (s, 18H), 0.28 (s, 18H), 1.7-2.0 (m,

4H); 13C NMR (C6D6, �) 4.3 (SiMe3), 4.4 (SiMe3), 17.3 (C), 33.8 (CH2); 29Si NMR (C6D6, �)

3.1 (SiMe3), 4.6 (SiCl3), 6.7 (SiMe3), 33.8 (SiCl); MS (70 eV, EI) m/z (%) 525 (7,

M(C16H40Si635Cl4)+ -15), 407 (71), 73 (100); Anal. Calcd for C16H40Si6Cl4: C, 35.40; H, 7.43%.

Found: C, 35.90; H, 7.18%.

Reaction of trisilaallene 1 with water forming the corresponding 1,3-dihydroxytrisilane 5

When a mixture of water (0.5 ml) and THF (2 ml) was introduced into a reaction vessel

containing trisilaallene 1 (71 mg, 0.092 mmol), the dark-green colour of the solution disappeared

within 24 hours. Removal of volatiles in vacuo gave 1,3-dihydroxytrisilane 5 as colourless crystals

(55 mg, 0.068 mmol, 74%).

Spectral data for 5: colorless crystals; 1H NMR (C6D6, �) 0.32 (s, 36H), 0.36 (s, 36H), 1.70-2.10

(m, 8H), 3.02 (s, 2H, Si-OH), 3.93 (s, 2H, SiH2); 13C NMR (C6D6, �) 4.6 (CH3), 4.8 (CH3), 18.5

(C), 34.2 (CH2); 29Si NMR (C6D6, �) –90.0 (SiH2), 1.7 (SiMe3), 3.7 (SiMe3), 39.6 (SiOH).

The structure of 5 was confirmed by X-ray crystallography.

Sup 4

2. Uv-vis Spectrum of Trisilaallene 1

Figure S1. UV-vis spectrum of trisilaallene 1 in hexane at room temperature.

25000

20000

15000

10000

5000

x 20

�/c

m-1

mol

-1 d

m3

wavelength/nm

400 500 600 700300

390 nm (� 21300)

584 nm (� 700)

0200

Sup 53. X-ray analysis of trisilaallene 1 X-ray crystal analysis of 1 was performed for two different single crystals (Crystal 1 and Crystal 2) atvarious temperatures: at -150 and -50 °C for Crystal 1 and at -146, -100, -50, and 0 °C for Crystal 2. Detailedgeometrical parameters of 1 are omitted except for those determined at -150 °C for Crystal 1.

Table S1. Experimental details of X-ray analysis of trisilaallene (Crystal 1, -150 °C)

A. Crystal Data Empirical Formula Si11C32H80Formula Weight 773.92Crystal Color, Habit Green, PlateCrystal Dimensions 0.05 � 0.20 � 0.30 mmCrystal System triclinicLattice Type PrimitiveNo. of Reflections Used for Unit Cell Determination (2� range) 7842 ( 6.6 - 65.2° )Lattice Parameters

a = 11.724(3) Å, b = 12.178(3) Å, c = 18.609(5) Å� = 74.112(8)°, � = 87.33(1) °,�� = 71.697(8) °, V = 2423(1) Å3

Space Group P-1 (#2)Z value 2Dcalc 1.060 g/cm3F000 852.00�(MoK�) 3.15 cm-1

B. Intensity Measurements Diffractometer Rigaku/MSC Mercury CCDRadiation MoK� (� = 0.71070 Å), graphite monochromatedTemperature -150.0 °CVoltage, Current 50 kV, 40 mACollimator Size 0.5 mmDetector Aperture 70 mm �70 mmData Images 1800 exposures� oscillation Range (�=45.0°; �=0.0, 90.0, 180.0°) -70.0 - 110.0°Exposure Rate 66.7 sec./ °Detector Swing Angle 20.10°Detector Position 39.97 mm2�max 65.4°No. of Reflections Measured Total: 39887, Unique: 15711 (Rint = 0.044)Corrections Lorentz-polarization, Absorption

(trans. factors: 0.8730 - 0.9843)

C. Structure Solution and Refinement Structure Solution Direct Methods (SIR92)Refinement Full-matrix least-squares (SHELXL-97)Function Minimized � w (Fo2 - Fc2)2 Least Squares Weights w = 1/[�2(Fo2) + (0.0495P)2 + 0.0000P]

where P = (Fo2 + 2Fc2)/3No. of Reflections (I>2�(I)) 8214No. Variables 409Reflection/Parameter Ratio 20.08Residuals: R; Rw 0.045 ; 0.117Goodness of Fit Indicator 1.02Max Shift/Error in Final Cycle 0.00Maximum/minimum peak in Final Diff. Map 0.45/-0.47 e-/Å3

Sup 6Table S2. Atomic coordinates, Biso/Beq and occupancy (Crystal 1, -150 °C)

atom x y z Beq occSi(1) 0.30725(5) 0.12880(6) 0.18541(4) 1.46(1) 1.0000Si(2C) 0.2255(9) 0.1602(9) 0.2837(6) 2.2(1) 0.070(2)Si(2B) 0.1797(4) 0.2787(4) 0.2245(2) 2.32(8) 0.175(2)Si(2A) 0.15183(8) 0.2080(1) 0.24528(6) 2.02(2) 0.755(2)Si(3) 0.11658(5) 0.31110(5) 0.32727(3) 1.36(1) 1.0000Si(4) 0.17744(6) -0.01254(7) 0.10754(5) 2.60(1) 1.0000Si(5) 0.34436(6) -0.14219(6) 0.25311(4) 2.06(1) 1.0000Si(6) 0.33127(6) 0.34031(6) 0.04931(4) 2.09(1) 1.0000Si(7) 0.55894(6) 0.17869(6) 0.15344(4) 1.88(1) 1.0000Si(8) -0.15998(5) 0.35453(6) 0.30214(4) 1.83(1) 1.0000Si(9) -0.06277(6) 0.57493(6) 0.26165(4) 1.80(1) 1.0000Si(10) 0.17450(5) 0.14437(6) 0.49743(4) 1.52(1) 1.0000Si(11) 0.32307(5) 0.31887(6) 0.42328(4) 1.57(1) 1.0000C(1) 0.3116(2) -0.0149(2) 0.1625(1) 1.54(4) 1.0000C(2) 0.4101(2) 0.1834(2) 0.1126(1) 1.44(4) 1.0000C(3) -0.0410(2) 0.4178(2) 0.3264(1) 1.34(3) 1.0000C(4) 0.1709(2) 0.2915(2) 0.4258(1) 1.22(3) 1.0000C(5) 0.4274(2) -0.0336(2) 0.1145(1) 1.78(4) 1.0000C(6) 0.4364(2) 0.0880(2) 0.0665(1) 1.79(4) 1.0000C(7) -0.0518(2) 0.4221(2) 0.4101(1) 1.52(4) 1.0000C(8) 0.0725(2) 0.3996(2) 0.4458(1) 1.45(4) 1.0000C(9) 0.0287(3) 0.0661(4) 0.1387(2) 4.96(9) 1.0000C(10) 0.1784(3) -0.1683(3) 0.1113(2) 3.52(6) 1.0000C(11) 0.1823(3) 0.0576(3) 0.0044(2) 3.61(6) 1.0000C(12) 0.2055(2) -0.1433(3) 0.3062(2) 3.18(6) 1.0000C(13) 0.4553(2) -0.1293(3) 0.3176(2) 2.75(5) 1.0000C(14) 0.4180(3) -0.2909(3) 0.2339(2) 3.35(6) 1.0000C(15) 0.3386(3) 0.4608(2) 0.0912(2) 3.21(5) 1.0000C(16) 0.1683(2) 0.3693(3) 0.0278(2) 3.17(5) 1.0000C(17) 0.4024(3) 0.3580(3) -0.0439(2) 3.28(5) 1.0000C(18) 0.5356(2) 0.2562(3) 0.2293(2) 3.52(6) 1.0000C(19) 0.6490(2) 0.2481(2) 0.0799(2) 2.37(4) 1.0000C(20) 0.6604(2) 0.0220(3) 0.1936(2) 3.12(5) 1.0000C(21) -0.1817(3) 0.3840(3) 0.1992(2) 3.07(5) 1.0000C(22) -0.3063(2) 0.4213(3) 0.3432(2) 3.74(6) 1.0000C(23) -0.1257(2) 0.1886(2) 0.3419(2) 2.33(4) 1.0000C(24) 0.0041(3) 0.5743(3) 0.1688(2) 3.50(6) 1.0000C(25) 0.0046(2) 0.6648(2) 0.3034(2) 2.60(5) 1.0000C(26) -0.2256(2) 0.6671(2) 0.2462(2) 3.86(7) 1.0000C(27) 0.2384(2) 0.0116(2) 0.4599(2) 2.36(4) 1.0000C(28) 0.0220(2) 0.1444(2) 0.5326(1) 2.34(4) 1.0000C(29) 0.2639(2) 0.1185(3) 0.5850(1) 2.57(5) 1.0000C(30) 0.4494(2) 0.1799(2) 0.4228(2) 2.51(5) 1.0000C(31) 0.3466(2) 0.3737(3) 0.5046(2) 2.87(5) 1.0000C(32) 0.3313(2) 0.4417(2) 0.3396(2) 2.27(4) 1.0000


atom x y z Beq occH(1) 0.4971 -0.0734 0.1474 1.8 1.0000H(2) 0.4239 -0.0821 0.0830 1.8 1.0000H(3) 0.3799 0.1172 0.0252 1.8 1.0000H(4) 0.5155 0.0764 0.0481 1.8 1.0000H(5) -0.1037 0.4983 0.4128 1.5 1.0000H(6) -0.0844 0.3611 0.4380 1.5 1.0000H(7) 0.0673 0.3824 0.4988 1.4 1.0000H(8) 0.0951 0.4708 0.4279 1.4 1.0000H(9) 0.0244 0.1449 0.1374 5.0 1.0000H(10) -0.0333 0.0682 0.1060 5.0 1.0000H(11) 0.0174 0.0229 0.1880 5.0 1.0000H(12) 0.1757 -0.2130 0.1623 3.5 1.0000H(13) 0.1101 -0.1652 0.0841 3.5 1.0000H(14) 0.2495 -0.2094 0.0908 3.5 1.0000H(15) 0.2550 0.0146 -0.0152 3.6 1.0000H(16) 0.1156 0.0583 -0.0222 3.6 1.0000H(17) 0.1831 0.1395 -0.0045 3.6 1.0000H(18) 0.1741 -0.0716 0.3212 3.2 1.0000H(19) 0.1461 -0.1502 0.2758 3.2 1.0000H(20) 0.2237 -0.2107 0.3498 3.2 1.0000H(21) 0.4687 -0.1922 0.3624 2.7 1.0000H(22) 0.5296 -0.1323 0.2937 2.7 1.0000H(23) 0.4247 -0.0536 0.3295 2.7 1.0000H(24) 0.4306 -0.3539 0.2801 3.3 1.0000H(25) 0.3654 -0.3051 0.2017 3.3 1.0000H(26) 0.4914 -0.2933 0.2116 3.3 1.0000H(27) 0.4195 0.4518 0.1031 3.2 1.0000H(28) 0.3037 0.5384 0.0569 3.2 1.0000H(29) 0.2943 0.4576 0.1359 3.2 1.0000H(30) 0.1348 0.4483 -0.0040 3.2 1.0000H(31) 0.1596 0.3126 0.0040 3.2 1.0000H(32) 0.1261 0.3621 0.0732 3.2 1.0000H(33) 0.4866 0.3440 -0.0374 3.3 1.0000H(34) 0.3914 0.3017 -0.0676 3.3 1.0000H(35) 0.3670 0.4373 -0.0752 3.3 1.0000H(36) 0.6095 0.2599 0.2455 3.5 1.0000H(37) 0.4825 0.3383 0.2106 3.5 1.0000H(38) 0.4990 0.2167 0.2705 3.5 1.0000H(39) 0.7204 0.2480 0.1022 2.4 1.0000H(40) 0.6691 0.2046 0.0436 2.4 1.0000H(41) 0.6028 0.3295 0.0561 2.4 1.0000H(42) 0.6221 -0.0209 0.2325 3.1 1.0000H(43) 0.6805 -0.0193 0.1558 3.1 1.0000H(44) 0.7331 0.0237 0.2141 3.1 1.0000H(45) -0.1983 0.4676 0.1748 3.1 1.0000


atom x y z Beq occH(46) -0.1097 0.3406 0.1793 3.1 1.0000H(47) -0.2461 0.3587 0.1881 3.1 1.0000H(48) -0.3303 0.5058 0.3261 3.7 1.0000H(49) -0.3661 0.3921 0.3299 3.7 1.0000H(50) -0.2957 0.3972 0.3969 3.7 1.0000H(51) -0.1883 0.1632 0.3286 2.3 1.0000H(52) -0.0518 0.1472 0.3246 2.3 1.0000H(53) -0.1188 0.1688 0.3958 2.3 1.0000H(54) 0.0896 0.5386 0.1750 3.5 1.0000H(55) -0.0271 0.5284 0.1454 3.5 1.0000H(56) -0.0139 0.6539 0.1373 3.5 1.0000H(57) 0.0892 0.6254 0.3131 2.6 1.0000H(58) -0.0072 0.7427 0.2698 2.6 1.0000H(59) -0.0316 0.6736 0.3493 2.6 1.0000H(60) -0.2340 0.7447 0.2141 3.9 1.0000H(61) -0.2692 0.6285 0.2258 3.9 1.0000H(62) -0.2587 0.6762 0.2937 3.9 1.0000H(63) 0.2340 -0.0596 0.4954 2.4 1.0000H(64) 0.1945 0.0223 0.4150 2.4 1.0000H(65) 0.3206 0.0025 0.4483 2.4 1.0000H(66) -0.0096 0.2067 0.5566 2.3 1.0000H(67) -0.0314 0.1567 0.4920 2.3 1.0000H(68) 0.0275 0.0689 0.5678 2.3 1.0000H(69) 0.2658 0.0430 0.6192 2.6 1.0000H(70) 0.3442 0.1170 0.5735 2.6 1.0000H(71) 0.2283 0.1807 0.6085 2.6 1.0000H(72) 0.4460 0.1160 0.4656 2.5 1.0000H(73) 0.4421 0.1561 0.3789 2.5 1.0000H(74) 0.5240 0.1938 0.4243 2.5 1.0000H(75) 0.3437 0.3162 0.5504 2.9 1.0000H(76) 0.4225 0.3874 0.5024 2.9 1.0000H(77) 0.2848 0.4478 0.5034 2.9 1.0000H(78) 0.4080 0.4535 0.3396 2.3 1.0000H(79) 0.3199 0.4215 0.2952 2.3 1.0000H(80) 0.2704 0.5147 0.3407 2.3 1.0000

Beq = 8/3 PI2(U11(aa*)2 + U22(bb*)2 + U33(cc*)2 + 2U12(aa*bb*)cos � + 2U13(aa*cc*)cos +2U23(bb*cc*)cos �)

Sup 9Table S3. Anisotropic Displacement Parameters (Crystal 1, -150 °C)

atom U11 U22 U33 U12 U13 U23Si(1) 0.0176(3) 0.0207(3) 0.0173(3) -0.0035(2) 0.0026(2) -0.0085(3)Si(2C) 0.029(3) 0.030(3) 0.023(3) -0.003(3) 0.007(2) -0.013(2)Si(2B) 0.031(2) 0.031(2) 0.021(2) -0.001(2) 0.006(1) -0.010(2)Si(2A) 0.0189(5) 0.0372(6) 0.0291(6) -0.0087(4) 0.0059(4) -0.0236(5)Si(3) 0.0162(3) 0.0178(3) 0.0169(3) -0.0017(2) 0.0002(2) -0.0077(3)Si(4) 0.0254(4) 0.0414(4) 0.0391(5) -0.0105(3) -0.0035(3) -0.0216(4)Si(5) 0.0248(3) 0.0258(4) 0.0273(4) -0.0118(3) 0.0063(3) -0.0031(3)Si(6) 0.0286(4) 0.0212(3) 0.0245(4) -0.0045(3) -0.0032(3) -0.0014(3)Si(7) 0.0196(3) 0.0308(4) 0.0207(3) -0.0100(3) 0.0017(3) -0.0043(3)Si(8) 0.0185(3) 0.0217(3) 0.0313(4) -0.0064(3) -0.0053(3) -0.0093(3)Si(9) 0.0231(3) 0.0147(3) 0.0286(4) -0.0031(3) -0.0060(3) -0.0049(3)Si(10) 0.0200(3) 0.0205(3) 0.0167(3) -0.0065(3) -0.0003(2) -0.0040(3)Si(11) 0.0137(3) 0.0218(3) 0.0243(4) -0.0056(2) -0.0004(2) -0.0061(3)C(1) 0.017(1) 0.022(1) 0.021(1) -0.0063(9) 0.0033(9) -0.0091(10)C(2) 0.020(1) 0.019(1) 0.015(1) -0.0045(9) 0.0022(9) -0.0059(9)C(3) 0.0144(10) 0.017(1) 0.020(1) -0.0034(8) -0.0016(8) -0.0072(9)C(4) 0.0150(10) 0.016(1) 0.016(1) -0.0037(8) 0.0007(8) -0.0065(9)C(5) 0.024(1) 0.023(1) 0.023(1) -0.0081(10) 0.0080(10) -0.011(1)C(6) 0.026(1) 0.023(1) 0.018(1) -0.0066(10) 0.0049(9) -0.0074(10)C(7) 0.0128(10) 0.020(1) 0.026(1) -0.0032(9) 0.0024(9) -0.0104(10)C(8) 0.018(1) 0.020(1) 0.019(1) -0.0047(9) 0.0016(9) -0.0096(9)C(9) 0.023(1) 0.094(3) 0.087(3) -0.009(2) -0.007(2) -0.059(2)C(10) 0.047(2) 0.053(2) 0.049(2) -0.027(1) 0.002(1) -0.025(2)C(11) 0.052(2) 0.046(2) 0.042(2) -0.014(1) -0.019(1) -0.014(1)C(12) 0.038(1) 0.059(2) 0.037(2) -0.031(1) 0.017(1) -0.017(1)C(13) 0.030(1) 0.041(2) 0.026(1) -0.011(1) -0.002(1) 0.002(1)C(14) 0.047(2) 0.027(1) 0.049(2) -0.012(1) 0.009(1) -0.003(1)C(15) 0.041(2) 0.023(1) 0.056(2) -0.007(1) -0.001(1) -0.012(1)C(16) 0.035(1) 0.036(2) 0.040(2) 0.000(1) -0.014(1) -0.005(1)C(17) 0.049(2) 0.038(2) 0.025(1) -0.010(1) -0.002(1) 0.006(1)C(18) 0.034(1) 0.080(2) 0.036(2) -0.030(2) 0.008(1) -0.029(2)C(19) 0.028(1) 0.036(1) 0.029(1) -0.015(1) 0.006(1) -0.009(1)C(20) 0.023(1) 0.042(2) 0.044(2) -0.009(1) -0.005(1) 0.006(1)C(21) 0.049(2) 0.031(1) 0.038(2) -0.017(1) -0.019(1) -0.003(1)C(22) 0.021(1) 0.051(2) 0.080(2) -0.011(1) 0.004(1) -0.034(2)C(23) 0.033(1) 0.028(1) 0.032(1) -0.017(1) -0.002(1) -0.006(1)C(24) 0.069(2) 0.028(1) 0.030(2) -0.015(1) -0.002(1) 0.003(1)C(25) 0.033(1) 0.019(1) 0.048(2) -0.010(1) -0.005(1) -0.009(1)C(26) 0.031(1) 0.022(1) 0.087(3) 0.001(1) -0.021(2) -0.011(2)C(27) 0.036(1) 0.020(1) 0.031(1) -0.008(1) 0.001(1) -0.004(1)C(28) 0.030(1) 0.030(1) 0.028(1) -0.015(1) 0.003(1) -0.001(1)C(29) 0.035(1) 0.040(2) 0.022(1) -0.013(1) -0.004(1) -0.003(1)C(30) 0.019(1) 0.028(1) 0.040(2) -0.004(1) 0.003(1) -0.001(1)C(31) 0.030(1) 0.049(2) 0.039(2) -0.021(1) -0.003(1) -0.017(1)C(32) 0.019(1) 0.028(1) 0.040(2) -0.010(1) 0.005(1) -0.007(1)

The general temperature factor expression:exp(-2PI2(a*2U11h2 + b*2U22k2 + c*2U33l2 + 2a*b*U12hk + 2a*c*U13hl + 2b*c*U23kl))

Sup 10Table S4. Bond Lengths(Å) (Crystal 1, -150 °C)

atom atom distance atom atom distanceSi(1) Si(2C) 2.10(1) Si(1) Si(2B) 2.238(5)Si(1) Si(2A) 2.188(1) Si(1) C(1) 1.896(3)Si(1) C(2) 1.894(2) Si(2C) Si(2B) 1.510(10)Si(2C) Si(2A) 1.053(10) Si(2C) Si(3) 2.22(1)Si(2B) Si(2A) 0.990(5) Si(2B) Si(3) 2.112(4)Si(2A) Si(3) 2.177(1) Si(3) C(3) 1.894(2)Si(3) C(4) 1.897(2) Si(4) C(1) 1.904(3)Si(4) C(9) 1.858(3) Si(4) C(10) 1.875(4)Si(4) C(11) 1.882(3) Si(5) C(1) 1.911(2)Si(5) C(12) 1.866(3) Si(5) C(13) 1.880(3)Si(5) C(14) 1.870(3) Si(6) C(2) 1.912(2)Si(6) C(15) 1.865(4) Si(6) C(16) 1.872(3)Si(6) C(17) 1.878(3) Si(7) C(2) 1.913(3)Si(7) C(18) 1.867(4) Si(7) C(19) 1.869(3)Si(7) C(20) 1.868(3) Si(8) C(3) 1.914(3)Si(8) C(21) 1.864(3) Si(8) C(22) 1.878(3)Si(8) C(23) 1.868(3) Si(9) C(3) 1.908(2)Si(9) C(24) 1.865(3) Si(9) C(25) 1.867(3)Si(9) C(26) 1.875(3) Si(10) C(4) 1.908(2)Si(10) C(27) 1.863(3) Si(10) C(28) 1.875(3)Si(10) C(29) 1.878(3) Si(11) C(4) 1.911(3)Si(11) C(30) 1.868(2) Si(11) C(31) 1.876(4)Si(11) C(32) 1.863(3) C(1) C(5) 1.580(3)C(2) C(6) 1.574(4) C(3) C(7) 1.571(3)C(4) C(8) 1.573(3) C(5) C(6) 1.538(3)C(7) C(8) 1.543(3)

Sup 11Table S5. Bond Lengths(Å) (Crystal 1, -150 °C)

atom atom distance atom atom distanceC(5) H(1) 0.96 C(5) H(2) 0.95C(6) H(3) 0.95 C(6) H(4) 0.95C(7) H(5) 0.95 C(7) H(6) 0.96C(8) H(7) 0.95 C(8) H(8) 0.95C(9) H(9) 0.94 C(9) H(10) 0.96C(9) H(11) 0.95 C(10) H(12) 0.96C(10) H(13) 0.95 C(10) H(14) 0.95C(11) H(15) 0.96 C(11) H(16) 0.94C(11) H(17) 0.97 C(12) H(18) 0.95C(12) H(19) 0.96 C(12) H(20) 0.96C(13) H(21) 0.95 C(13) H(22) 0.95C(13) H(23) 0.96 C(14) H(24) 0.96C(14) H(25) 0.96 C(14) H(26) 0.93C(15) H(27) 0.95 C(15) H(28) 0.96C(15) H(29) 0.96 C(16) H(30) 0.95C(16) H(31) 0.95 C(16) H(32) 0.96C(17) H(33) 0.96 C(17) H(34) 0.95C(17) H(35) 0.95 C(18) H(36) 0.95C(18) H(37) 0.97 C(18) H(38) 0.95C(19) H(39) 0.95 C(19) H(40) 0.95C(19) H(41) 0.96 C(20) H(42) 0.95C(20) H(43) 0.95 C(20) H(44) 0.96C(21) H(45) 0.95 C(21) H(46) 0.96C(21) H(47) 0.95 C(22) H(48) 0.94C(22) H(49) 0.95 C(22) H(50) 0.96C(23) H(51) 0.95 C(23) H(52) 0.95C(23) H(53) 0.97 C(24) H(54) 0.96C(24) H(55) 0.96 C(24) H(56) 0.95C(25) H(57) 0.96 C(25) H(58) 0.95C(25) H(59) 0.95 C(26) H(60) 0.95C(26) H(61) 0.94 C(26) H(62) 0.97C(27) H(63) 0.95 C(27) H(64) 0.96C(27) H(65) 0.96 C(28) H(66) 0.95C(28) H(67) 0.95 C(28) H(68) 0.96C(29) H(69) 0.96 C(29) H(70) 0.95C(29) H(71) 0.95 C(30) H(72) 0.96C(30) H(73) 0.95 C(30) H(74) 0.94C(31) H(75) 0.95 C(31) H(76) 0.95C(31) H(77) 0.96 C(32) H(78) 0.95C(32) H(79) 0.95 C(32) H(80) 0.95

Sup 12Table S6. Bond Angles(o) (Crystal 1, -150 °C)

atom atom atom angle atom atom atom angleSi(2C) Si(1) Si(2B) 40.6(3) Si(2C) Si(1) Si(2A) 28.3(3)Si(2C) Si(1) C(1) 117.9(3) Si(2C) Si(1) C(2) 140.8(4)Si(2B) Si(1) Si(2A) 25.8(1) Si(2B) Si(1) C(1) 140.1(2)Si(2B) Si(1) C(2) 112.3(1) Si(2A) Si(1) C(1) 116.40(8)Si(2A) Si(1) C(2) 137.55(8) C(1) Si(1) C(2) 100.1(1)Si(1) Si(2C) Si(2B) 74.7(5) Si(1) Si(2C) Si(2A) 80.6(6)Si(1) Si(2C) Si(3) 140.1(5) Si(2B) Si(2C) Si(2A) 40.7(4)Si(2B) Si(2C) Si(3) 65.9(4) Si(2A) Si(2C) Si(3) 74.1(6)Si(1) Si(2B) Si(2C) 64.7(4) Si(1) Si(2B) Si(2A) 74.3(3)Si(1) Si(2B) Si(3) 137.5(2) Si(2C) Si(2B) Si(2A) 43.9(5)Si(2C) Si(2B) Si(3) 73.3(5) Si(2A) Si(2B) Si(3) 80.3(3)Si(1) Si(2A) Si(2C) 71.0(6) Si(1) Si(2A) Si(2B) 79.9(3)Si(1) Si(2A) Si(3) 136.49(6) Si(2C) Si(2A) Si(2B) 95.3(7)Si(2C) Si(2A) Si(3) 78.2(6) Si(2B) Si(2A) Si(3) 73.0(3)Si(2C) Si(3) Si(2B) 40.8(3) Si(2C) Si(3) Si(2A) 27.7(3)Si(2C) Si(3) C(3) 143.1(3) Si(2C) Si(3) C(4) 110.7(3)Si(2B) Si(3) Si(2A) 26.6(2) Si(2B) Si(3) C(3) 117.2(1)Si(2B) Si(3) C(4) 141.7(1) Si(2A) Si(3) C(3) 117.10(9)Si(2A) Si(3) C(4) 137.77(7) C(3) Si(3) C(4) 100.00(10)C(1) Si(4) C(9) 114.5(2) C(1) Si(4) C(10) 111.7(1)C(1) Si(4) C(11) 112.3(1) C(9) Si(4) C(10) 107.4(2)C(9) Si(4) C(11) 107.5(1) C(10) Si(4) C(11) 102.6(2)C(1) Si(5) C(12) 111.7(1) C(1) Si(5) C(13) 112.1(1)C(1) Si(5) C(14) 110.9(1) C(12) Si(5) C(13) 106.8(1)C(12) Si(5) C(14) 110.7(2) C(13) Si(5) C(14) 104.4(1)C(2) Si(6) C(15) 111.9(1) C(2) Si(6) C(16) 114.1(1)C(2) Si(6) C(17) 109.1(1) C(15) Si(6) C(16) 106.4(1)C(15) Si(6) C(17) 110.0(1) C(16) Si(6) C(17) 105.1(1)C(2) Si(7) C(18) 112.0(1) C(2) Si(7) C(19) 111.7(1)C(2) Si(7) C(20) 112.7(1) C(18) Si(7) C(19) 108.8(2)C(18) Si(7) C(20) 107.2(1) C(19) Si(7) C(20) 104.0(1)C(3) Si(8) C(21) 112.0(1) C(3) Si(8) C(22) 109.6(1)C(3) Si(8) C(23) 114.5(1) C(21) Si(8) C(22) 110.1(1)C(21) Si(8) C(23) 105.9(1) C(22) Si(8) C(23) 104.5(1)C(3) Si(9) C(24) 113.4(1) C(3) Si(9) C(25) 112.0(1)C(3) Si(9) C(26) 111.9(1) C(24) Si(9) C(25) 107.0(1)C(24) Si(9) C(26) 108.6(1) C(25) Si(9) C(26) 103.3(1)C(4) Si(10) C(27) 112.4(1) C(4) Si(10) C(28) 112.56(9)C(4) Si(10) C(29) 112.0(1) C(27) Si(10) C(28) 108.3(1)C(27) Si(10) C(29) 108.1(1) C(28) Si(10) C(29) 102.9(1)C(4) Si(11) C(30) 111.4(1) C(4) Si(11) C(31) 111.3(1)C(4) Si(11) C(32) 111.42(10) C(30) Si(11) C(31) 109.5(1)C(30) Si(11) C(32) 108.8(1) C(31) Si(11) C(32) 104.2(1)Si(1) C(1) Si(4) 117.85(10) Si(1) C(1) Si(5) 108.5(1)Si(1) C(1) C(5) 100.1(2) Si(4) C(1) Si(5) 110.9(1)Si(4) C(1) C(5) 110.4(2) Si(5) C(1) C(5) 108.4(1)Si(1) C(2) Si(6) 111.91(10) Si(1) C(2) Si(7) 114.0(1)Si(1) C(2) C(6) 101.5(2) Si(6) C(2) Si(7) 110.2(1)Si(6) C(2) C(6) 109.9(1) Si(7) C(2) C(6) 108.9(1)Si(3) C(3) Si(8) 111.8(1) Si(3) C(3) Si(9) 113.3(1)Si(3) C(3) C(7) 101.9(1) Si(8) C(3) Si(9) 110.0(1)Si(8) C(3) C(7) 109.3(2) Si(9) C(3) C(7) 110.2(2)Si(3) C(4) Si(10) 116.1(1) Si(3) C(4) Si(11) 109.7(1)Si(3) C(4) C(8) 100.3(1) Si(10) C(4) Si(11) 111.38(9)Si(10) C(4) C(8) 109.8(1) Si(11) C(4) C(8) 108.8(2)C(1) C(5) C(6) 110.7(2) C(2) C(6) C(5) 111.8(2)C(3) C(7) C(8) 110.9(2) C(4) C(8) C(7) 111.6(2)

Sup 13Table S7. Bond Angles(o) (Crystal 1, -150 °C)

atom atom atom angle atom atom atom angleC(1) C(5) H(1) 109.1 C(1) C(5) H(2) 109.4C(6) C(5) H(1) 109.0 C(6) C(5) H(2) 109.6H(1) C(5) H(2) 109.0 C(2) C(6) H(3) 109.3C(2) C(6) H(4) 109.1 C(5) C(6) H(3) 108.8C(5) C(6) H(4) 109.0 H(3) C(6) H(4) 108.9C(3) C(7) H(5) 109.9 C(3) C(7) H(6) 109.5C(8) C(7) H(5) 109.2 C(8) C(7) H(6) 108.4H(5) C(7) H(6) 108.9 C(4) C(8) H(7) 109.1C(4) C(8) H(8) 109.4 C(7) C(8) H(7) 109.3C(7) C(8) H(8) 108.6 H(7) C(8) H(8) 108.8Si(4) C(9) H(9) 110.1 Si(4) C(9) H(10) 109.0Si(4) C(9) H(11) 109.4 H(9) C(9) H(10) 109.6H(9) C(9) H(11) 110.2 H(10) C(9) H(11) 108.5Si(4) C(10) H(12) 109.9 Si(4) C(10) H(13) 110.4Si(4) C(10) H(14) 110.5 H(12) C(10) H(13) 108.3H(12) C(10) H(14) 108.5 H(13) C(10) H(14) 109.2Si(4) C(11) H(15) 110.4 Si(4) C(11) H(16) 111.6Si(4) C(11) H(17) 110.1 H(15) C(11) H(16) 109.1H(15) C(11) H(17) 106.9 H(16) C(11) H(17) 108.7Si(5) C(12) H(18) 110.4 Si(5) C(12) H(19) 110.1Si(5) C(12) H(20) 109.9 H(18) C(12) H(19) 109.2H(18) C(12) H(20) 108.9 H(19) C(12) H(20) 108.3Si(5) C(13) H(21) 110.5 Si(5) C(13) H(22) 110.0Si(5) C(13) H(23) 109.6 H(21) C(13) H(22) 109.5H(21) C(13) H(23) 109.0 H(22) C(13) H(23) 108.3Si(5) C(14) H(24) 109.4 Si(5) C(14) H(25) 109.5Si(5) C(14) H(26) 111.0 H(24) C(14) H(25) 107.4H(24) C(14) H(26) 109.7 H(25) C(14) H(26) 109.8Si(6) C(15) H(27) 110.8 Si(6) C(15) H(28) 110.2Si(6) C(15) H(29) 110.2 H(27) C(15) H(28) 108.8H(27) C(15) H(29) 108.8 H(28) C(15) H(29) 108.0Si(6) C(16) H(30) 109.9 Si(6) C(16) H(31) 109.9Si(6) C(16) H(32) 109.6 H(30) C(16) H(31) 109.5H(30) C(16) H(32) 109.0 H(31) C(16) H(32) 109.0Si(6) C(17) H(33) 110.0 Si(6) C(17) H(34) 110.1Si(6) C(17) H(35) 110.1 H(33) C(17) H(34) 108.7H(33) C(17) H(35) 108.9 H(34) C(17) H(35) 109.0Si(7) C(18) H(36) 111.0 Si(7) C(18) H(37) 109.7Si(7) C(18) H(38) 111.0 H(36) C(18) H(37) 107.6H(36) C(18) H(38) 109.7 H(37) C(18) H(38) 107.7Si(7) C(19) H(39) 109.8 Si(7) C(19) H(40) 110.1Si(7) C(19) H(41) 109.5 H(39) C(19) H(40) 109.7H(39) C(19) H(41) 108.7 H(40) C(19) H(41) 109.1Si(7) C(20) H(42) 110.3 Si(7) C(20) H(43) 110.4Si(7) C(20) H(44) 110.0 H(42) C(20) H(43) 109.0H(42) C(20) H(44) 108.4 H(43) C(20) H(44) 108.7Si(8) C(21) H(45) 110.6 Si(8) C(21) H(46) 110.0Si(8) C(21) H(47) 110.7 H(45) C(21) H(46) 108.1H(45) C(21) H(47) 109.1 H(46) C(21) H(47) 108.4Si(8) C(22) H(48) 110.2 Si(8) C(22) H(49) 109.8Si(8) C(22) H(50) 109.0 H(48) C(22) H(49) 110.3H(48) C(22) H(50) 109.0 H(49) C(22) H(50) 108.5Si(8) C(23) H(51) 110.4 Si(8) C(23) H(52) 110.3Si(8) C(23) H(53) 109.4 H(51) C(23) H(52) 110.0H(51) C(23) H(53) 108.4 H(52) C(23) H(53) 108.3Si(9) C(24) H(54) 109.9 Si(9) C(24) H(55) 110.1Si(9) C(24) H(56) 110.4 H(54) C(24) H(55) 108.4

Sup 14Table S7. Bond Angles(o) (Crystal 1, -150 °C) (continued)

atom atom atom angle atom atom atom angleH(54) C(24) H(56) 108.9 H(55) C(24) H(56) 109.1Si(9) C(25) H(57) 110.1 Si(9) C(25) H(58) 110.3Si(9) C(25) H(59) 110.5 H(57) C(25) H(58) 108.5H(57) C(25) H(59) 108.6 H(58) C(25) H(59) 108.8Si(9) C(26) H(60) 110.3 Si(9) C(26) H(61) 110.4Si(9) C(26) H(62) 109.2 H(60) C(26) H(61) 110.2H(60) C(26) H(62) 108.2 H(61) C(26) H(62) 108.4Si(10) C(27) H(63) 110.6 Si(10) C(27) H(64) 110.0Si(10) C(27) H(65) 110.2 H(63) C(27) H(64) 108.8H(63) C(27) H(65) 108.9 H(64) C(27) H(65) 108.2Si(10) C(28) H(66) 110.2 Si(10) C(28) H(67) 110.0Si(10) C(28) H(68) 110.0 H(66) C(28) H(67) 109.1H(66) C(28) H(68) 108.9 H(67) C(28) H(68) 108.7Si(10) C(29) H(69) 109.8 Si(10) C(29) H(70) 110.2Si(10) C(29) H(71) 110.2 H(69) C(29) H(70) 108.6H(69) C(29) H(71) 108.7 H(70) C(29) H(71) 109.3Si(11) C(30) H(72) 109.5 Si(11) C(30) H(73) 109.8Si(11) C(30) H(74) 110.3 H(72) C(30) H(73) 108.4H(72) C(30) H(74) 109.1 H(73) C(30) H(74) 109.6Si(11) C(31) H(75) 110.3 Si(11) C(31) H(76) 110.3Si(11) C(31) H(77) 109.9 H(75) C(31) H(76) 109.2H(75) C(31) H(77) 108.6 H(76) C(31) H(77) 108.5Si(11) C(32) H(78) 109.8 Si(11) C(32) H(79) 110.1Si(11) C(32) H(80) 109.8 H(78) C(32) H(79) 109.2H(78) C(32) H(80) 108.7 H(79) C(32) H(80) 109.2

Sup 15Table S8. Torsion Angles(o) (Crystal 1, -150 °C)

atom atom atom atom angle atom atom atom atom angleSi(1) Si(2C) Si(2B) Si(2A) 93.4(6) Si(1) Si(2C) Si(2B) Si(3) -173.3(4)Si(1) Si(2C) Si(2A) Si(2B) -77.4(4) Si(1) Si(2C) Si(2A) Si(3) -148.8(4)Si(1) Si(2C) Si(3) Si(2B) 10.2(6) Si(1) Si(2C) Si(3) Si(2A) 52.8(6)Si(1) Si(2C) Si(3) C(3) 77(1) Si(1) Si(2C) Si(3) C(4) -137.7(8)Si(1) Si(2B) Si(2C) Si(2A) -93.4(6) Si(1) Si(2B) Si(2C) Si(3) 173.3(4)Si(1) Si(2B) Si(2A) Si(2C) 69.6(6) Si(1) Si(2B) Si(2A) Si(3) 145.6(1)Si(1) Si(2B) Si(3) Si(2C) -9.0(5) Si(1) Si(2B) Si(3) Si(2A) -53.7(3)Si(1) Si(2B) Si(3) C(3) -150.3(3) Si(1) Si(2B) Si(3) C(4) 44.4(6)Si(1) Si(2A) Si(2C) Si(2B) 77.4(4) Si(1) Si(2A) Si(2C) Si(3) 148.8(4)Si(1) Si(2A) Si(2B) Si(2C) -69.6(6) Si(1) Si(2A) Si(2B) Si(3) -145.6(1)Si(1) Si(2A) Si(3) Si(2C) -45.4(6) Si(1) Si(2A) Si(3) Si(2B) 54.0(2)Si(1) Si(2A) Si(3) C(3) 151.28(9) Si(1) Si(2A) Si(3) C(4) -60.1(2)Si(1) C(1) Si(4) C(9) -43.1(2) Si(1) C(1) Si(4) C(10) -165.4(1)Si(1) C(1) Si(4) C(11) 79.9(2) Si(1) C(1) Si(5) C(12) 82.0(2)Si(1) C(1) Si(5) C(13) -37.8(1) Si(1) C(1) Si(5) C(14) -154.1(1)Si(1) C(1) C(5) C(6) -36.2(2) Si(1) C(2) Si(6) C(15) 85.1(2)Si(1) C(2) Si(6) C(16) -35.7(2) Si(1) C(2) Si(6) C(17) -152.9(2)Si(1) C(2) Si(7) C(18) -51.9(2) Si(1) C(2) Si(7) C(19) -174.2(1)Si(1) C(2) Si(7) C(20) 69.1(2) Si(1) C(2) C(6) C(5) -27.6(2)Si(2C) Si(1) Si(2B) Si(2A) -46.0(6) Si(2C) Si(1) Si(2B) Si(3) 9.6(6)Si(2C) Si(1) Si(2A) Si(2B) 99.3(8) Si(2C) Si(1) Si(2A) Si(3) 47.5(7)Si(2C) Si(1) C(1) Si(4) 87.4(3) Si(2C) Si(1) C(1) Si(5) -39.7(3)Si(2C) Si(1) C(1) C(5) -153.1(3) Si(2C) Si(1) C(2) Si(6) -71.6(4)Si(2C) Si(1) C(2) Si(7) 54.4(4) Si(2C) Si(1) C(2) C(6) 171.3(4)Si(2C) Si(2B) Si(1) Si(2A) 46.0(6) Si(2C) Si(2B) Si(1) C(1) 74.1(6)Si(2C) Si(2B) Si(1) C(2) -144.0(6) Si(2C) Si(2B) Si(2A) Si(3) 75.9(6)Si(2C) Si(2B) Si(3) Si(2A) -44.6(5) Si(2C) Si(2B) Si(3) C(3) -141.3(5)Si(2C) Si(2B) Si(3) C(4) 53.4(6) Si(2C) Si(2A) Si(1) Si(2B) -99.3(8)Si(2C) Si(2A) Si(1) C(1) 100.4(7) Si(2C) Si(2A) Si(1) C(2) -113.1(7)Si(2C) Si(2A) Si(2B) Si(3) -75.9(6) Si(2C) Si(2A) Si(3) Si(2B) 99.4(7)Si(2C) Si(2A) Si(3) C(3) -163.3(6) Si(2C) Si(2A) Si(3) C(4) -14.7(7)Si(2C) Si(3) Si(2B) Si(2A) 44.6(5) Si(2C) Si(3) Si(2A) Si(2B) -99.4(7)Si(2C) Si(3) C(3) Si(8) 22.8(5) Si(2C) Si(3) C(3) Si(9) -102.2(5)Si(2C) Si(3) C(3) C(7) 139.4(5) Si(2C) Si(3) C(4) Si(10) -56.0(3)Si(2C) Si(3) C(4) Si(11) 71.4(3) Si(2C) Si(3) C(4) C(8) -174.2(4)Si(2B) Si(1) Si(2C) Si(2A) 41.3(4) Si(2B) Si(1) Si(2C) Si(3) -9.6(5)Si(2B) Si(1) Si(2A) Si(3) -51.8(3) Si(2B) Si(1) C(1) Si(4) 42.3(2)Si(2B) Si(1) C(1) Si(5) -84.8(2) Si(2B) Si(1) C(1) C(5) 161.8(2)Si(2B) Si(1) C(2) Si(6) -34.3(2) Si(2B) Si(1) C(2) Si(7) 91.6(2)Si(2B) Si(1) C(2) C(6) -151.5(2) Si(2B) Si(2C) Si(1) Si(2A) -41.3(4)Si(2B) Si(2C) Si(1) C(1) -135.8(4) Si(2B) Si(2C) Si(1) C(2) 59.4(7)Si(2B) Si(2C) Si(2A) Si(3) -71.4(3) Si(2B) Si(2C) Si(3) Si(2A) 42.6(4)Si(2B) Si(2C) Si(3) C(3) 67.8(7) Si(2B) Si(2C) Si(3) C(4) -147.9(4)Si(2B) Si(2A) Si(1) C(1) -160.3(3) Si(2B) Si(2A) Si(1) C(2) -13.9(3)Si(2B) Si(2A) Si(2C) Si(3) 71.4(3) Si(2B) Si(2A) Si(3) C(3) 97.3(3)Si(2B) Si(2A) Si(3) C(4) -114.1(3) Si(2B) Si(3) Si(2C) Si(2A) -42.6(4)Si(2B) Si(3) C(3) Si(8) 65.6(2) Si(2B) Si(3) C(3) Si(9) -59.4(2)Si(2B) Si(3) C(3) C(7) -177.8(2) Si(2B) Si(3) C(4) Si(10) -90.1(3)Si(2B) Si(3) C(4) Si(11) 37.3(3) Si(2B) Si(3) C(4) C(8) 151.7(3)Si(2A) Si(1) Si(2C) Si(3) -50.9(5) Si(2A) Si(1) Si(2B) Si(3) 55.6(3)Si(2A) Si(1) C(1) Si(4) 55.5(1) Si(2A) Si(1) C(1) Si(5) -71.5(1)Si(2A) Si(1) C(1) C(5) 175.0(1) Si(2A) Si(1) C(2) Si(6) -27.8(2)Si(2A) Si(1) C(2) Si(7) 98.1(1) Si(2A) Si(1) C(2) C(6) -145.0(1)Si(2A) Si(2C) Si(1) C(1) -94.5(6) Si(2A) Si(2C) Si(1) C(2) 100.7(7)Si(2A) Si(2C) Si(2B) Si(3) 93.4(5) Si(2A) Si(2C) Si(3) C(3) 25.2(9)Si(2A) Si(2C) Si(3) C(4) 169.5(5) Si(2A) Si(2B) Si(1) C(1) 28.0(4)

Sup 16Table S8. Torsion Angles(o) (Crystal 1, -150 °C)

atom atom atom atom angle atom atom atom atom angleSi(2A) Si(2B) Si(1) C(2) 169.9(2) Si(2A) Si(2B) Si(2C) Si(3) -93.4(5)Si(2A) Si(2B) Si(3) C(3) -96.7(2) Si(2A) Si(2B) Si(3) C(4) 98.0(3)Si(2A) Si(3) C(3) Si(8) 35.6(1) Si(2A) Si(3) C(3) Si(9) -89.4(1)Si(2A) Si(3) C(3) C(7) 152.2(1) Si(2A) Si(3) C(4) Si(10) -48.8(2)Si(2A) Si(3) C(4) Si(11) 78.6(2) Si(2A) Si(3) C(4) C(8) -167.0(1)Si(3) Si(2C) Si(1) C(1) -145.4(8) Si(3) Si(2C) Si(1) C(2) 49(1)Si(3) Si(2B) Si(1) C(1) 83.7(4) Si(3) Si(2B) Si(1) C(2) -134.4(3)Si(3) Si(2A) Si(1) C(1) 147.86(9) Si(3) Si(2A) Si(1) C(2) -65.6(1)Si(3) C(3) Si(8) C(21) -83.4(1) Si(3) C(3) Si(8) C(22) 154.2(1)Si(3) C(3) Si(8) C(23) 37.2(2) Si(3) C(3) Si(9) C(24) 44.4(2)Si(3) C(3) Si(9) C(25) -76.8(2) Si(3) C(3) Si(9) C(26) 167.7(2)Si(3) C(3) C(7) C(8) 28.7(2) Si(3) C(4) Si(10) C(27) 43.9(2)Si(3) C(4) Si(10) C(28) -78.7(2) Si(3) C(4) Si(10) C(29) 165.9(1)Si(3) C(4) Si(11) C(30) -84.9(1) Si(3) C(4) Si(11) C(31) 152.6(1)Si(3) C(4) Si(11) C(32) 36.8(2) Si(3) C(4) C(8) C(7) 34.7(2)Si(4) C(1) Si(1) C(2) -102.3(1) Si(4) C(1) Si(5) C(12) -48.9(2)Si(4) C(1) Si(5) C(13) -168.7(1) Si(4) C(1) Si(5) C(14) 75.0(2)Si(4) C(1) C(5) C(6) 88.7(2) Si(5) C(1) Si(1) C(2) 130.7(1)Si(5) C(1) Si(4) C(9) 82.8(2) Si(5) C(1) Si(4) C(10) -39.6(2)Si(5) C(1) Si(4) C(11) -154.2(1) Si(5) C(1) C(5) C(6) -149.6(2)Si(6) C(2) Si(1) C(1) 122.0(1) Si(6) C(2) Si(7) C(18) 74.9(2)Si(6) C(2) Si(7) C(19) -47.4(2) Si(6) C(2) Si(7) C(20) -164.1(1)Si(6) C(2) C(6) C(5) -146.2(2) Si(7) C(2) Si(1) C(1) -112.1(1)Si(7) C(2) Si(6) C(15) -42.8(2) Si(7) C(2) Si(6) C(16) -163.6(1)Si(7) C(2) Si(6) C(17) 79.2(2) Si(7) C(2) C(6) C(5) 92.9(2)Si(8) C(3) Si(3) C(4) -123.6(1) Si(8) C(3) Si(9) C(24) -81.5(2)Si(8) C(3) Si(9) C(25) 157.2(1) Si(8) C(3) Si(9) C(26) 41.7(2)Si(8) C(3) C(7) C(8) 147.1(2) Si(9) C(3) Si(3) C(4) 111.4(1)Si(9) C(3) Si(8) C(21) 43.5(1) Si(9) C(3) Si(8) C(22) -79.0(1)Si(9) C(3) Si(8) C(23) 164.0(1) Si(9) C(3) C(7) C(8) -91.9(2)Si(10) C(4) Si(3) C(3) 103.2(1) Si(10) C(4) Si(11) C(30) 45.1(2)Si(10) C(4) Si(11) C(31) -77.4(1) Si(10) C(4) Si(11) C(32) 166.8(1)Si(10) C(4) C(8) C(7) -88.1(2) Si(11) C(4) Si(3) C(3) -129.5(1)Si(11) C(4) Si(10) C(27) -82.6(2) Si(11) C(4) Si(10) C(28) 154.8(1)Si(11) C(4) Si(10) C(29) 39.4(2) Si(11) C(4) C(8) C(7) 149.8(1)C(1) Si(1) C(2) C(6) 4.8(1) C(1) C(5) C(6) C(2) 45.0(3)C(2) Si(1) C(1) C(5) 17.3(1) C(3) Si(3) C(4) C(8) -15.0(2)C(3) C(7) C(8) C(4) -44.6(2) C(4) Si(3) C(3) C(7) -7.0(2)C(5) C(1) Si(4) C(9) -157.0(2) C(5) C(1) Si(4) C(10) 80.6(2)C(5) C(1) Si(4) C(11) -34.1(2) C(5) C(1) Si(5) C(12) -170.3(2)C(5) C(1) Si(5) C(13) 70.0(2) C(5) C(1) Si(5) C(14) -46.3(2)C(6) C(2) Si(6) C(15) -162.9(2) C(6) C(2) Si(6) C(16) 76.3(2)C(6) C(2) Si(6) C(17) -40.9(2) C(6) C(2) Si(7) C(18) -164.4(2)C(6) C(2) Si(7) C(19) 73.3(2) C(6) C(2) Si(7) C(20) -43.4(2)C(7) C(3) Si(8) C(21) 164.6(1) C(7) C(3) Si(8) C(22) 42.2(2)C(7) C(3) Si(8) C(23) -74.8(2) C(7) C(3) Si(9) C(24) 157.9(2)C(7) C(3) Si(9) C(25) 36.6(2) C(7) C(3) Si(9) C(26) -78.9(2)C(8) C(4) Si(10) C(27) 156.8(2) C(8) C(4) Si(10) C(28) 34.1(2)C(8) C(4) Si(10) C(29) -81.3(2) C(8) C(4) Si(11) C(30) 166.3(1)C(8) C(4) Si(11) C(31) 43.8(2) C(8) C(4) Si(11) C(32) -72.0(2)

Plane (C1 – Si1 – C2) – Plane (C3 – Si3 – C4) 92.545

Sup 17

Figure S2. ORTEP drawing of trisilaallene (Crystal 1, -150 °C). Thermal ellipsoids are shown at the 30%probability level. Hydrogen atoms are omitted for clarity.

Sup 18Table S9. Experimental details of X-ray analysis of trisilaallene (Crystal 1, -50 °C)

A. Crystal Data Empirical Formula C32Si11H80Formula Weight 773.92Crystal Color, Habit Green, PlateCrystal Dimensions 0.05 � 0.20 � 0.30 mmCrystal System triclinicLattice Type PrimitiveNo. of Reflections Used for UnitCell Determination (2� range) 6719 ( 6.6 - 65.2o )Lattice Parameters

a = 11.803(4) Å, b = 12.265(4) Å, c = 18.664(6) Å� = 73.99(1) °,�� = 87.27(1)°, �� = 72.005(10) °, V = 2467(1) Å3


B. Intensity Measurements Diffractometer Rigaku/MSC Mercury CCDRadiation MoK� (� = 0.71070 Å), graphite monochromatedTemperature -50.0 °CVoltage, Current 50 kV, 40 mACollimator Size 0.5 mmDetector Aperture 70 mm � 70 mmData Images 1200 exposures� oscillation Range (�= 45.0°, �=0.0°, 90.0°) -70.0 - 110.0°Exposure Rate 66.7 sec. /°Detector Swing Angle 20.10°Detector Position 39.99 mm2�max 65.3°No. of Reflections Measured Total: 27189, Unique: 15081 (Rint = 0.042)Corrections Lorentz-polarization, Absorption

(trans. factors: 0.8510 - 0.9846)




atom x y z Beq occSi(1) 0.30419(8) 0.12947(8) 0.18446(5) 2.78(2) 1.0000Si(2C) 0.2259(6) 0.1606(6) 0.2842(3) 3.69(9) 0.186(3)Si(2D) 0.262(1) 0.235(2) 0.2642(9) 3.40(10) 0.065(2)Si(2B) 0.1828(5) 0.2739(5) 0.2266(3) 3.76(9) 0.220(3)Si(2A) 0.1540(2) 0.2055(2) 0.2470(1) 3.43(5) 0.528(3)Si(3) 0.11876(7) 0.30775(8) 0.32851(5) 2.53(2) 1.0000Si(4) 0.1695(1) -0.0143(1) 0.11552(8) 5.11(3) 1.0000Si(5) 0.34865(9) -0.14215(9) 0.25393(6) 3.64(2) 1.0000Si(6) 0.3320(1) 0.33903(9) 0.04947(6) 3.88(2) 1.0000Si(7) 0.55851(9) 0.1694(1) 0.14950(6) 3.95(2) 1.0000Si(8) -0.15439(9) 0.35186(9) 0.30019(6) 3.58(2) 1.0000Si(9) -0.05622(9) 0.57071(8) 0.25997(6) 3.44(2) 1.0000Si(10) 0.17321(8) 0.14676(9) 0.49922(5) 2.96(2) 1.0000Si(11) 0.32095(8) 0.32062(9) 0.42434(6) 3.19(2) 1.0000C(1) 0.3074(3) -0.0148(3) 0.1644(2) 2.84(6) 1.0000C(2) 0.4065(3) 0.1814(3) 0.1108(2) 2.72(6) 1.0000C(3) -0.0373(3) 0.4149(3) 0.3250(2) 2.53(5) 1.0000C(4) 0.1705(2) 0.2922(3) 0.4266(2) 2.22(5) 1.0000C(5) 0.4161(4) -0.0314(3) 0.1116(2) 4.02(8) 1.0000C(6) 0.4245(4) 0.0899(4) 0.0637(2) 4.16(8) 1.0000C(7) -0.0496(3) 0.4209(3) 0.4078(2) 2.78(6) 1.0000C(8) 0.0716(3) 0.4000(3) 0.4449(2) 2.68(6) 1.0000C(9) 0.0272(4) 0.0507(7) 0.1561(5) 10.7(2) 1.0000C(10) 0.1739(5) -0.1675(5) 0.1156(3) 6.4(1) 1.0000C(11) 0.1614(7) 0.0637(6) 0.0133(4) 10.5(2) 1.0000C(12) 0.2173(4) -0.1524(5) 0.3115(3) 5.8(1) 1.0000C(13) 0.4590(4) -0.1259(4) 0.3157(3) 5.14(9) 1.0000C(14) 0.4234(4) -0.2876(4) 0.2326(3) 6.3(1) 1.0000C(15) 0.3424(4) 0.4535(4) 0.0938(3) 5.9(1) 1.0000C(16) 0.1699(4) 0.3701(4) 0.0276(3) 5.7(1) 1.0000C(17) 0.4023(5) 0.3606(5) -0.0434(3) 6.4(1) 1.0000C(18) 0.5457(5) 0.2301(7) 0.2306(3) 8.4(2) 1.0000C(19) 0.6450(4) 0.2454(4) 0.0775(3) 4.82(9) 1.0000C(20) 0.6592(4) 0.0129(5) 0.1809(4) 9.4(2) 1.0000C(21) -0.1711(5) 0.3771(4) 0.1980(3) 6.0(1) 1.0000C(22) -0.3015(4) 0.4194(5) 0.3378(4) 6.9(1) 1.0000C(23) -0.1208(4) 0.1884(4) 0.3418(2) 4.41(8) 1.0000C(24) 0.0118(5) 0.5690(4) 0.1685(3) 6.3(1) 1.0000C(25) 0.0095(4) 0.6602(3) 0.3022(3) 4.83(9) 1.0000C(26) -0.2164(4) 0.6617(4) 0.2420(3) 6.7(1) 1.0000C(27) 0.2377(4) 0.0138(3) 0.4638(2) 4.49(8) 1.0000C(28) 0.0216(3) 0.1469(4) 0.5332(2) 4.15(8) 1.0000C(29) 0.2595(4) 0.1236(4) 0.5865(2) 5.21(10) 1.0000C(30) 0.4472(3) 0.1839(4) 0.4264(3) 5.14(10) 1.0000C(31) 0.3410(4) 0.3784(5) 0.5042(3) 5.7(1) 1.0000C(32) 0.3329(3) 0.4395(4) 0.3397(3) 4.46(8) 1.0000


atom x y z Beq occH(1) 0.4897 -0.0717 0.1426 4.0 1.0000H(2) 0.4107 -0.0805 0.0817 4.0 1.0000H(3) 0.3606 0.1217 0.0249 4.2 1.0000H(4) 0.4975 0.0817 0.0398 4.2 1.0000H(5) -0.1015 0.4975 0.4091 2.8 1.0000H(6) -0.0833 0.3615 0.4357 2.8 1.0000H(7) 0.0647 0.3843 0.4978 2.7 1.0000H(8) 0.0950 0.4708 0.4272 2.7 1.0000H(9) 0.0180 0.1289 0.1577 10.7 1.0000H(10) -0.0392 0.0509 0.1278 10.7 1.0000H(11) 0.0237 0.0022 0.2065 10.7 1.0000H(12) 0.1710 -0.2156 0.1669 6.4 1.0000H(13) 0.1075 -0.1669 0.0885 6.4 1.0000H(14) 0.2456 -0.2079 0.0960 6.4 1.0000H(15) 0.1621 0.1464 0.0043 10.5 1.0000H(16) 0.2325 0.0267 -0.0119 10.5 1.0000H(17) 0.0943 0.0658 -0.0128 10.5 1.0000H(18) 0.1846 -0.0833 0.3283 5.8 1.0000H(19) 0.1576 -0.1632 0.2841 5.8 1.0000H(20) 0.2410 -0.2207 0.3552 5.8 1.0000H(21) 0.4816 -0.1919 0.3586 5.1 1.0000H(22) 0.5289 -0.1177 0.2894 5.1 1.0000H(23) 0.4249 -0.0545 0.3322 5.1 1.0000H(24) 0.4415 -0.3520 0.2777 6.3 1.0000H(25) 0.3729 -0.3035 0.2009 6.3 1.0000H(26) 0.4963 -0.2867 0.2083 6.3 1.0000H(27) 0.4252 0.4408 0.1076 5.9 1.0000H(28) 0.3116 0.5314 0.0628 5.9 1.0000H(29) 0.3005 0.4475 0.1402 5.9 1.0000H(30) 0.1369 0.4498 -0.0044 5.7 1.0000H(31) 0.1598 0.3162 0.0008 5.7 1.0000H(32) 0.1263 0.3615 0.0712 5.7 1.0000H(33) 0.4857 0.3450 -0.0372 6.4 1.0000H(34) 0.3898 0.3057 -0.0684 6.4 1.0000H(35) 0.3676 0.4392 -0.0738 6.4 1.0000H(36) 0.6185 0.2255 0.2513 8.4 1.0000H(37) 0.5006 0.3201 0.2147 8.4 1.0000H(38) 0.4981 0.1996 0.2688 8.4 1.0000H(39) 0.7175 0.2423 0.0992 4.8 1.0000H(40) 0.6608 0.2098 0.0378 4.8 1.0000H(41) 0.5990 0.3284 0.0579 4.8 1.0000H(42) 0.6250 -0.0359 0.2190 9.4 1.0000H(43) 0.6778 -0.0228 0.1405 9.4 1.0000H(44) 0.7345 0.0103 0.2016 9.4 1.0000H(45) -0.1877 0.4593 0.1717 6.0 1.0000H(46) -0.0978 0.3337 0.1788 6.0 1.0000


atom x y z Beq occH(47) -0.2331 0.3495 0.1857 6.0 1.0000H(48) -0.3240 0.5049 0.3193 6.9 1.0000H(49) -0.3604 0.3919 0.3243 6.9 1.0000H(50) -0.2937 0.3997 0.3914 6.9 1.0000H(51) -0.1818 0.1615 0.3276 4.4 1.0000H(52) -0.0464 0.1466 0.3248 4.4 1.0000H(53) -0.1153 0.1693 0.3949 4.4 1.0000H(54) 0.0981 0.5321 0.1756 6.3 1.0000H(55) -0.0171 0.5226 0.1447 6.3 1.0000H(56) -0.0025 0.6468 0.1365 6.3 1.0000H(57) 0.0919 0.6196 0.3148 4.8 1.0000H(58) 0.0006 0.7361 0.2685 4.8 1.0000H(59) -0.0303 0.6709 0.3471 4.8 1.0000H(60) -0.2221 0.7380 0.2077 6.7 1.0000H(61) -0.2576 0.6227 0.2196 6.7 1.0000H(62) -0.2519 0.6729 0.2866 6.7 1.0000H(63) 0.2325 -0.0564 0.5001 4.5 1.0000H(64) 0.1963 0.0226 0.4191 4.5 1.0000H(65) 0.3201 0.0042 0.4536 4.5 1.0000H(66) -0.0103 0.2097 0.5562 4.2 1.0000H(67) -0.0302 0.1579 0.4925 4.2 1.0000H(68) 0.0264 0.0727 0.5689 4.2 1.0000H(69) 0.2612 0.0487 0.6215 5.2 1.0000H(70) 0.3398 0.1219 0.5759 5.2 1.0000H(71) 0.2238 0.1855 0.6097 5.2 1.0000H(72) 0.4421 0.1199 0.4686 5.1 1.0000H(73) 0.4417 0.1587 0.3821 5.1 1.0000H(74) 0.5206 0.1972 0.4284 5.1 1.0000H(75) 0.3358 0.3219 0.5501 5.7 1.0000H(76) 0.4163 0.3909 0.5026 5.7 1.0000H(77) 0.2796 0.4516 0.5012 5.7 1.0000H(78) 0.4079 0.4528 0.3407 4.5 1.0000H(79) 0.3229 0.4187 0.2961 4.5 1.0000H(80) 0.2713 0.5132 0.3395 4.5 1.0000



atom U11 U22 U33 U12 U13 U23Si(1) 0.0357(5) 0.0377(5) 0.0346(5) -0.0101(4) 0.0081(4) -0.0164(4)Si(2C) 0.050(2) 0.046(2) 0.041(2) -0.006(2) 0.013(2) -0.019(2)Si(2D) 0.038(2) 0.055(3) 0.044(3) -0.014(2) 0.009(2) -0.029(2)Si(2B) 0.048(2) 0.050(2) 0.038(2) -0.002(2) 0.009(2) -0.017(2)Si(2A) 0.035(1) 0.060(1) 0.049(1) -0.0157(9) 0.0099(8) -0.037(1)Si(3) 0.0329(4) 0.0321(5) 0.0318(5) -0.0062(4) 0.0016(4) -0.0141(4)Si(4) 0.0642(7) 0.0698(9) 0.0727(9) -0.0266(6) -0.0169(6) -0.0296(7)Si(5) 0.0438(5) 0.0442(6) 0.0498(6) -0.0193(5) 0.0086(5) -0.0068(5)Si(6) 0.0553(6) 0.0402(6) 0.0442(6) -0.0116(5) -0.0029(5) -0.0019(5)Si(7) 0.0373(5) 0.0614(7) 0.0467(6) -0.0183(5) 0.0059(5) -0.0044(5)Si(8) 0.0400(5) 0.0394(6) 0.0596(7) -0.0144(4) -0.0137(5) -0.0128(5)Si(9) 0.0469(6) 0.0277(5) 0.0522(6) -0.0078(4) -0.0113(5) -0.0063(5)Si(10) 0.0382(5) 0.0391(5) 0.0326(5) -0.0113(4) -0.0017(4) -0.0059(4)Si(11) 0.0284(4) 0.0440(6) 0.0507(6) -0.0122(4) -0.0015(4) -0.0139(5)C(1) 0.038(2) 0.039(2) 0.036(2) -0.016(1) 0.008(1) -0.014(2)C(2) 0.039(2) 0.037(2) 0.030(2) -0.014(1) 0.006(1) -0.012(1)C(3) 0.032(2) 0.028(2) 0.040(2) -0.009(1) -0.002(1) -0.014(1)C(4) 0.026(1) 0.029(2) 0.029(2) -0.006(1) 0.000(1) -0.010(1)C(5) 0.067(2) 0.045(2) 0.054(2) -0.025(2) 0.032(2) -0.030(2)C(6) 0.075(3) 0.051(2) 0.044(2) -0.029(2) 0.027(2) -0.025(2)C(7) 0.027(2) 0.035(2) 0.044(2) -0.005(1) 0.002(1) -0.018(2)C(8) 0.034(2) 0.036(2) 0.035(2) -0.010(1) 0.002(1) -0.016(1)C(9) 0.045(3) 0.156(6) 0.232(9) -0.004(3) -0.035(4) -0.119(6)C(10) 0.089(3) 0.094(4) 0.089(4) -0.056(3) 0.007(3) -0.041(3)C(11) 0.203(7) 0.119(5) 0.093(5) -0.094(5) -0.085(5) 0.010(4)C(12) 0.077(3) 0.101(4) 0.063(3) -0.057(3) 0.023(2) -0.025(3)C(13) 0.055(2) 0.067(3) 0.060(3) -0.018(2) -0.010(2) 0.005(2)C(14) 0.082(3) 0.045(3) 0.103(4) -0.017(2) 0.016(3) -0.012(3)C(15) 0.078(3) 0.039(2) 0.103(4) -0.015(2) 0.002(3) -0.020(2)C(16) 0.064(3) 0.072(3) 0.061(3) -0.006(2) -0.022(2) -0.001(2)C(17) 0.096(4) 0.081(4) 0.048(3) -0.027(3) -0.001(2) 0.011(2)C(18) 0.073(3) 0.216(7) 0.066(3) -0.074(4) 0.010(3) -0.064(4)C(19) 0.056(2) 0.072(3) 0.061(3) -0.032(2) 0.014(2) -0.014(2)C(20) 0.040(2) 0.081(4) 0.185(7) -0.016(2) -0.002(3) 0.040(4)C(21) 0.106(4) 0.061(3) 0.066(3) -0.037(3) -0.042(3) -0.002(2)C(22) 0.037(2) 0.088(4) 0.148(5) -0.021(2) -0.005(3) -0.047(4)C(23) 0.065(2) 0.052(2) 0.058(3) -0.035(2) -0.005(2) -0.008(2)C(24) 0.127(4) 0.049(3) 0.054(3) -0.029(3) -0.002(3) 0.003(2)C(25) 0.065(3) 0.036(2) 0.083(3) -0.020(2) -0.006(2) -0.011(2)C(26) 0.062(3) 0.041(2) 0.137(5) -0.001(2) -0.037(3) -0.009(3)C(27) 0.069(3) 0.036(2) 0.059(3) -0.013(2) 0.005(2) -0.006(2)C(28) 0.052(2) 0.052(2) 0.051(2) -0.024(2) 0.006(2) -0.002(2)C(29) 0.066(3) 0.082(3) 0.044(2) -0.026(2) -0.013(2) -0.003(2)C(30) 0.033(2) 0.064(3) 0.082(3) -0.006(2) 0.004(2) -0.004(2)C(31) 0.058(3) 0.095(4) 0.081(3) -0.037(3) -0.012(2) -0.035(3)C(32) 0.042(2) 0.046(2) 0.083(3) -0.023(2) 0.008(2) -0.010(2)


Sup 23


Sup 24Table S12. Experimental Details of X-ray analysis of trisilaallene (Crystal 2, -146 °C)

A. Crystal Data Empirical Formula C32H80Si11Formula Weight 773.92Crystal Color, Habit Green, PlateletCrystal Dimensions 0.10 � 0.20 � 0.40 mmCrystal System triclinicLattice Type PrimitiveNo. of Reflections Used for UnitCell Determination (2� range) 7978 ( 6.6 - 61.0°)Lattice Parameters

a = 11.725(2) Å, b = 12.182(2) Å, c = 18.603(4) Å� = 74.071(8) °, � = 87.34(1) °, � = 71.772(8) °, V = 2424.7(8) Å3


B. Intensity Measurements Diffractometer Rigaku/MSC Mercury CCDRadiation MoK� (� = 0.71070 Å), graphite monochromatedTemperature -145.9 °CVoltage, Current 50 kV, 40 mACollimator Size 0.5 mmDetector Aperture 70 mm ��70 mmData Images 900 exposures� oscillation Range (��= 45.0°, � = 0.0°, 90.0°) -75.0 - 105.0°Exposure Rate 50.0 sec./ °Detector Swing Angle 15.10°Detector Position 40.08 mm2�max 61.0°No. of Reflections Measured Total: 24444, Unique: 12237 (Rint = 0.039)Corrections Lorentz-polarization

Absorption (trans. factors: 0.8317 - 0.9690)




atom x y z Beq occSi(1) 0.30702(7) 0.12847(7) 0.18539(4) 1.75(1) 1.0000Si(2C) 0.2271(9) 0.1607(9) 0.2846(5) 2.7(1) 0.099(2)Si(2B) 0.1804(5) 0.2779(5) 0.2246(3) 2.56(9) 0.185(3)Si(2A) 0.1522(1) 0.2071(1) 0.24562(7) 2.26(3) 0.716(3)Si(3) 0.11696(7) 0.31079(7) 0.32734(4) 1.61(1) 1.0000Si(4) 0.17688(9) -0.0135(1) 0.10883(6) 3.05(2) 1.0000Si(5) 0.34531(8) -0.14283(8) 0.25333(5) 2.33(2) 1.0000Si(6) 0.33148(8) 0.34013(8) 0.04931(5) 2.35(2) 1.0000Si(7) 0.55894(8) 0.17737(8) 0.15296(5) 2.24(2) 1.0000Si(8) -0.15913(8) 0.35417(8) 0.30179(5) 2.15(2) 1.0000Si(9) -0.06181(8) 0.57446(7) 0.26133(5) 2.10(2) 1.0000Si(10) 0.17425(7) 0.14461(7) 0.49781(4) 1.72(1) 1.0000Si(11) 0.32284(7) 0.31906(8) 0.42354(5) 1.84(2) 1.0000C(1) 0.3113(3) -0.0153(3) 0.1630(2) 1.82(5) 1.0000C(2) 0.4096(3) 0.1832(3) 0.1122(2) 1.62(5) 1.0000C(3) -0.0408(2) 0.4173(2) 0.3260(2) 1.56(5) 1.0000C(4) 0.1708(2) 0.2921(2) 0.4259(2) 1.34(4) 1.0000C(5) 0.4266(3) -0.0338(3) 0.1142(2) 2.16(5) 1.0000C(6) 0.4351(3) 0.0882(3) 0.0660(2) 2.23(5) 1.0000C(7) -0.0514(2) 0.4224(3) 0.4096(2) 1.75(5) 1.0000C(8) 0.0724(2) 0.3999(3) 0.4455(2) 1.63(5) 1.0000C(9) 0.0292(4) 0.0631(5) 0.1411(3) 5.9(1) 1.0000C(10) 0.1783(4) -0.1689(4) 0.1123(2) 4.04(8) 1.0000C(11) 0.1807(4) 0.0577(4) 0.0054(2) 4.35(9) 1.0000C(12) 0.2075(4) -0.1454(4) 0.3071(2) 3.82(8) 1.0000C(13) 0.4563(3) -0.1301(3) 0.3175(2) 3.06(7) 1.0000C(14) 0.4193(4) -0.2913(3) 0.2339(2) 3.82(8) 1.0000C(15) 0.3393(3) 0.4601(3) 0.0911(2) 3.58(7) 1.0000C(16) 0.1687(3) 0.3696(3) 0.0280(2) 3.42(7) 1.0000C(17) 0.4025(4) 0.3588(4) -0.0440(2) 3.74(8) 1.0000C(18) 0.5366(4) 0.2533(5) 0.2295(2) 4.30(9) 1.0000C(19) 0.6488(3) 0.2476(3) 0.0797(2) 2.69(6) 1.0000C(20) 0.6606(3) 0.0211(4) 0.1927(2) 3.71(8) 1.0000C(21) -0.1804(4) 0.3828(3) 0.1991(2) 3.59(7) 1.0000C(22) -0.3055(3) 0.4211(4) 0.3425(3) 4.24(9) 1.0000C(23) -0.1247(3) 0.1883(3) 0.3419(2) 2.65(6) 1.0000C(24) 0.0055(4) 0.5737(3) 0.1687(2) 4.00(8) 1.0000C(25) 0.0052(3) 0.6643(3) 0.3029(2) 2.93(6) 1.0000C(26) -0.2241(3) 0.6664(3) 0.2456(3) 4.33(9) 1.0000C(27) 0.2382(3) 0.0117(3) 0.4609(2) 2.58(6) 1.0000C(28) 0.0219(3) 0.1450(3) 0.5328(2) 2.54(6) 1.0000C(29) 0.2633(3) 0.1190(3) 0.5855(2) 2.88(6) 1.0000C(30) 0.4487(3) 0.1802(3) 0.4236(2) 2.92(6) 1.0000C(31) 0.3459(3) 0.3743(4) 0.5046(2) 3.32(7) 1.0000C(32) 0.3320(3) 0.4415(3) 0.3395(2) 2.68(6) 1.0000


atom x y z Beq occH(1) 0.4971 -0.0736 0.1470 2.2 1.0000H(2) 0.4233 -0.0830 0.0831 2.2 1.0000H(3) 0.3781 0.1175 0.0247 2.2 1.0000H(4) 0.5139 0.0774 0.0466 2.2 1.0000H(5) -0.1032 0.4991 0.4120 1.7 1.0000H(6) -0.0845 0.3621 0.4378 1.7 1.0000H(7) 0.0670 0.3831 0.4985 1.6 1.0000H(8) 0.0951 0.4714 0.4277 1.6 1.0000H(9) 0.0247 0.1425 0.1398 5.9 1.0000H(10) -0.0331 0.0657 0.1086 5.9 1.0000H(11) 0.0190 0.0199 0.1904 5.9 1.0000H(12) 0.1756 -0.2142 0.1630 4.0 1.0000H(13) 0.1099 -0.1661 0.0848 4.0 1.0000H(14) 0.2493 -0.2098 0.0914 4.0 1.0000H(15) 0.2532 0.0151 -0.0149 4.4 1.0000H(16) 0.1138 0.0592 -0.0214 4.4 1.0000H(17) 0.1823 0.1397 -0.0037 4.4 1.0000H(18) 0.1754 -0.0742 0.3221 3.8 1.0000H(19) 0.1482 -0.1535 0.2769 3.8 1.0000H(20) 0.2264 -0.2132 0.3507 3.8 1.0000H(21) 0.4709 -0.1935 0.3620 3.1 1.0000H(22) 0.5301 -0.1313 0.2932 3.1 1.0000H(23) 0.4252 -0.0548 0.3300 3.1 1.0000H(24) 0.4324 -0.3546 0.2798 3.8 1.0000H(25) 0.3669 -0.3057 0.2015 3.8 1.0000H(26) 0.4927 -0.2933 0.2113 3.8 1.0000H(27) 0.4207 0.4502 0.1035 3.6 1.0000H(28) 0.3055 0.5376 0.0572 3.6 1.0000H(29) 0.2954 0.4568 0.1362 3.6 1.0000H(30) 0.1350 0.4490 -0.0034 3.4 1.0000H(31) 0.1595 0.3138 0.0032 3.4 1.0000H(32) 0.1266 0.3611 0.0733 3.4 1.0000H(33) 0.4872 0.3451 -0.0376 3.7 1.0000H(34) 0.3928 0.3021 -0.0680 3.7 1.0000H(35) 0.3675 0.4377 -0.0755 3.7 1.0000H(36) 0.6103 0.2573 0.2459 4.3 1.0000H(37) 0.4836 0.3363 0.2112 4.3 1.0000H(38) 0.4996 0.2144 0.2707 4.3 1.0000H(39) 0.7202 0.2478 0.1021 2.7 1.0000H(40) 0.6696 0.2044 0.0432 2.7 1.0000H(41) 0.6028 0.3290 0.0559 2.7 1.0000H(42) 0.6227 -0.0226 0.2315 3.7 1.0000H(43) 0.6824 -0.0197 0.1551 3.7 1.0000H(44) 0.7331 0.0232 0.2143 3.7 1.0000H(45) -0.1969 0.4657 0.1743 3.6 1.0000

Sup 27Table 13. Atomic coordinates, Biso/Beq and occupancy (Crystal 2, -146 °C) atom x y z Beq occH(46) -0.1077 0.3388 0.1794 3.6 1.0000H(47) -0.2440 0.3563 0.1880 3.6 1.0000H(48) -0.3298 0.5059 0.3252 4.2 1.0000H(49) -0.3658 0.3923 0.3291 4.2 1.0000H(50) -0.2959 0.3975 0.3962 4.2 1.0000H(51) -0.1876 0.1629 0.3284 2.7 1.0000H(52) -0.0511 0.1469 0.3244 2.7 1.0000H(53) -0.1181 0.1685 0.3956 2.7 1.0000H(54) 0.0913 0.5378 0.1750 4.0 1.0000H(55) -0.0251 0.5277 0.1450 4.0 1.0000H(56) -0.0117 0.6532 0.1370 4.0 1.0000H(57) 0.0903 0.6246 0.3125 2.9 1.0000H(58) -0.0058 0.7418 0.2691 2.9 1.0000H(59) -0.0302 0.6730 0.3487 2.9 1.0000H(60) -0.2322 0.7436 0.2134 4.3 1.0000H(61) -0.2675 0.6276 0.2251 4.3 1.0000H(62) -0.2573 0.6754 0.2929 4.3 1.0000H(63) 0.2340 -0.0593 0.4963 2.6 1.0000H(64) 0.1946 0.0222 0.4157 2.6 1.0000H(65) 0.3205 0.0029 0.4491 2.6 1.0000H(66) -0.0099 0.2074 0.5569 2.5 1.0000H(67) -0.0320 0.1575 0.4923 2.5 1.0000H(68) 0.0266 0.0697 0.5681 2.5 1.0000H(69) 0.2640 0.0441 0.6201 2.9 1.0000H(70) 0.3441 0.1160 0.5742 2.9 1.0000H(71) 0.2286 0.1818 0.6085 2.9 1.0000H(72) 0.4454 0.1164 0.4664 2.9 1.0000H(73) 0.4420 0.1562 0.3796 2.9 1.0000H(74) 0.5236 0.1941 0.4250 2.9 1.0000H(75) 0.3422 0.3176 0.5507 3.3 1.0000H(76) 0.4218 0.3881 0.5028 3.3 1.0000H(77) 0.2841 0.4490 0.5031 3.3 1.0000H(78) 0.4082 0.4541 0.3396 2.7 1.0000H(79) 0.3217 0.4207 0.2949 2.7 1.0000H(80) 0.2705 0.5146 0.3396 2.7 1.0000



atom U11 U22 U33 U12 U13 U23Si(1) 0.0213(4) 0.0240(4) 0.0216(4) -0.0048(3) 0.0035(3) -0.0100(3)Si(2C) 0.033(3) 0.037(3) 0.025(3) 0.001(3) 0.008(2) -0.014(2)Si(2B) 0.033(2) 0.034(2) 0.025(2) -0.001(2) 0.007(2) -0.012(2)Si(2A) 0.0216(6) 0.0411(9) 0.0326(7) -0.0102(6) 0.0062(5) -0.0257(7)Si(3) 0.0193(4) 0.0215(4) 0.0200(4) -0.0025(3) -0.0005(3) -0.0091(3)Si(4) 0.0310(5) 0.0472(6) 0.0458(6) -0.0122(4) -0.0061(4) -0.0241(5)Si(5) 0.0268(5) 0.0295(5) 0.0319(5) -0.0133(4) 0.0061(4) -0.0035(4)Si(6) 0.0321(5) 0.0239(5) 0.0282(5) -0.0055(4) -0.0047(4) -0.0019(4)Si(7) 0.0222(4) 0.0358(5) 0.0254(4) -0.0109(4) 0.0011(3) -0.0037(4)Si(8) 0.0222(4) 0.0249(5) 0.0371(5) -0.0076(4) -0.0080(4) -0.0103(4)Si(9) 0.0266(4) 0.0167(4) 0.0338(5) -0.0033(3) -0.0084(4) -0.0052(4)Si(10) 0.0211(4) 0.0228(4) 0.0204(4) -0.0070(3) -0.0015(3) -0.0037(3)Si(11) 0.0154(4) 0.0247(4) 0.0301(4) -0.0063(3) -0.0015(3) -0.0071(4)C(1) 0.019(1) 0.026(2) 0.027(2) -0.007(1) 0.004(1) -0.012(1)C(2) 0.024(1) 0.021(1) 0.017(1) -0.007(1) 0.003(1) -0.007(1)C(3) 0.018(1) 0.018(1) 0.023(1) -0.004(1) -0.003(1) -0.006(1)C(4) 0.015(1) 0.019(1) 0.019(1) -0.003(1) 0.001(1) -0.009(1)C(5) 0.031(2) 0.027(2) 0.027(2) -0.009(1) 0.012(1) -0.013(1)C(6) 0.034(2) 0.029(2) 0.024(2) -0.010(1) 0.006(1) -0.012(1)C(7) 0.015(1) 0.025(2) 0.029(2) -0.004(1) 0.001(1) -0.012(1)C(8) 0.019(1) 0.024(2) 0.021(1) -0.006(1) 0.001(1) -0.011(1)C(9) 0.023(2) 0.109(4) 0.110(4) -0.007(2) -0.011(2) -0.070(3)C(10) 0.053(2) 0.061(3) 0.059(3) -0.033(2) 0.006(2) -0.031(2)C(11) 0.063(3) 0.054(3) 0.053(2) -0.019(2) -0.025(2) -0.016(2)C(12) 0.046(2) 0.070(3) 0.043(2) -0.036(2) 0.017(2) -0.020(2)C(13) 0.029(2) 0.044(2) 0.034(2) -0.009(2) -0.004(1) 0.005(2)C(14) 0.049(2) 0.034(2) 0.059(2) -0.015(2) 0.008(2) -0.006(2)C(15) 0.043(2) 0.027(2) 0.065(3) -0.008(2) -0.002(2) -0.013(2)C(16) 0.040(2) 0.038(2) 0.042(2) -0.002(2) -0.015(2) -0.005(2)C(17) 0.057(2) 0.045(2) 0.030(2) -0.014(2) -0.004(2) 0.004(2)C(18) 0.040(2) 0.102(4) 0.041(2) -0.036(2) 0.008(2) -0.035(2)C(19) 0.034(2) 0.039(2) 0.034(2) -0.018(2) 0.006(1) -0.011(2)C(20) 0.026(2) 0.047(2) 0.054(2) -0.010(2) -0.007(2) 0.009(2)C(21) 0.059(2) 0.035(2) 0.045(2) -0.020(2) -0.026(2) -0.003(2)C(22) 0.022(2) 0.057(3) 0.092(3) -0.012(2) 0.001(2) -0.037(2)C(23) 0.039(2) 0.033(2) 0.035(2) -0.022(2) -0.002(1) -0.006(1)C(24) 0.083(3) 0.032(2) 0.032(2) -0.019(2) -0.010(2) 0.005(2)C(25) 0.038(2) 0.022(2) 0.051(2) -0.009(1) -0.007(2) -0.010(2)C(26) 0.038(2) 0.026(2) 0.094(3) -0.002(2) -0.022(2) -0.010(2)C(27) 0.039(2) 0.023(2) 0.034(2) -0.009(1) 0.003(1) -0.005(1)C(28) 0.030(2) 0.032(2) 0.032(2) -0.013(1) 0.002(1) -0.002(1)C(29) 0.038(2) 0.046(2) 0.025(2) -0.016(2) -0.008(1) -0.003(1)C(30) 0.021(2) 0.036(2) 0.046(2) -0.005(1) 0.003(1) -0.002(2)C(31) 0.035(2) 0.056(2) 0.045(2) -0.024(2) -0.003(2) -0.018(2)C(32) 0.021(2) 0.031(2) 0.050(2) -0.012(1) 0.005(1) -0.007(2)


Sup 29


Sup 30Table S15. Experimental Details of X-ray analysis of trisilaallene (Crystal 2, -100 °C)

A. Crystal Data Empirical Formula C32H80Si11Formula Weight 773.92Crystal Color, Habit Green, PlateletCrystal Dimensions 0.10 � 0.20 � 0.40 mmCrystal System triclinicLattice Type PrimitiveNo. of Reflections Used for UnitCell Determination (2� range) 7113 ( 6.6 - 61.0°)Lattice Parameters

a = 11.762(3) Å, b = 12.221(3) Å, c = 18.612(5) Å� = 74.01(1) °, = 87.32(2) °, � = 71.95(1) °, V = 2442(1) Å3


B. Intensity Measurements Diffractometer Rigaku/MSC Mercury CCDRadiation MoK� (� = 0.71070 Å), graphite monochromatedTemperature -100.0 °CVoltage, Current 50 kV, 40 mACollimator Size 0.5 mmDetector Aperture 70 mm � 70 mmData Images 900 exposures� oscillation Range (�= 45.0°, ��= 0.0°, 90.0°) -75.0 - 105.0°Exposure Rate 50.0 sec./ °Detector Swing Angle 15.12°Detector Position 40.07 mm2�max 61.4°No. of Reflections Measured Total: 24669, Unique: 12351 (Rint = 0.047)Corrections Lorentz-polarization

Absorption (trans. factors: 0.7263 - 0.9393)



Sup 31Table 16. Atomic coordinates, Biso/Beq and occupancy (Crystal 2, -100 °C)

atom x y z Beq occSi(1) 0.30556(9) 0.12851(9) 0.18514(6) 2.55(2) 1.0000Si(2C) 0.2265(8) 0.1600(7) 0.2848(4) 3.2(1) 0.150(3)Si(2A) 0.1534(2) 0.2053(2) 0.2465(1) 3.09(4) 0.606(3)Si(2B) 0.1810(6) 0.2745(6) 0.2262(3) 3.32(9) 0.208(3)Si(2D) 0.263(3) 0.234(3) 0.269(2) 3.1(1) 0.036(3)Si(3) 0.11804(9) 0.30913(9) 0.32800(5) 2.32(2) 1.0000Si(4) 0.1730(1) -0.0152(1) 0.11301(8) 4.37(3) 1.0000Si(5) 0.3478(1) -0.1432(1) 0.25401(7) 3.22(2) 1.0000Si(6) 0.3319(1) 0.3392(1) 0.04950(6) 3.38(2) 1.0000Si(7) 0.5589(1) 0.1724(1) 0.15104(6) 3.34(2) 1.0000Si(8) -0.1564(1) 0.3525(1) 0.30073(7) 3.13(2) 1.0000Si(9) -0.0584(1) 0.57220(9) 0.26032(6) 3.00(2) 1.0000Si(10) 0.17342(9) 0.14597(9) 0.49874(6) 2.56(2) 1.0000Si(11) 0.32159(9) 0.3200(1) 0.42405(6) 2.76(2) 1.0000C(1) 0.3094(3) -0.0158(3) 0.1639(2) 2.67(7) 1.0000C(2) 0.4082(3) 0.1815(3) 0.1116(2) 2.49(6) 1.0000C(3) -0.0389(3) 0.4160(3) 0.3255(2) 2.26(6) 1.0000C(4) 0.1703(3) 0.2921(3) 0.4267(2) 2.05(6) 1.0000C(5) 0.4212(4) -0.0322(4) 0.1129(2) 3.52(8) 1.0000C(6) 0.4285(4) 0.0890(4) 0.0652(2) 3.52(8) 1.0000C(7) -0.0504(3) 0.4213(3) 0.4085(2) 2.56(6) 1.0000C(8) 0.0718(3) 0.4002(3) 0.4448(2) 2.32(6) 1.0000C(9) 0.0288(5) 0.0536(7) 0.1502(5) 9.1(2) 1.0000C(10) 0.1768(5) -0.1693(5) 0.1145(3) 5.6(1) 1.0000C(11) 0.1706(7) 0.0601(6) 0.0101(3) 7.9(2) 1.0000C(12) 0.2146(4) -0.1513(5) 0.3101(3) 5.0(1) 1.0000C(13) 0.4582(4) -0.1275(4) 0.3169(3) 4.45(10) 1.0000C(14) 0.4225(5) -0.2894(4) 0.2338(3) 5.2(1) 1.0000C(15) 0.3415(5) 0.4560(4) 0.0931(3) 4.9(1) 1.0000C(16) 0.1702(4) 0.3696(5) 0.0279(3) 4.9(1) 1.0000C(17) 0.4022(5) 0.3602(5) -0.0436(3) 5.3(1) 1.0000C(18) 0.5422(5) 0.2392(7) 0.2305(3) 7.1(2) 1.0000C(19) 0.6467(4) 0.2462(4) 0.0780(2) 3.72(8) 1.0000C(20) 0.6597(4) 0.0159(5) 0.1857(4) 7.3(2) 1.0000C(21) -0.1744(5) 0.3790(4) 0.1981(3) 5.2(1) 1.0000C(22) -0.3026(4) 0.4202(5) 0.3392(4) 5.8(1) 1.0000C(23) -0.1220(4) 0.1880(4) 0.3412(2) 3.63(8) 1.0000C(24) 0.0086(5) 0.5711(4) 0.1684(3) 5.4(1) 1.0000C(25) 0.0079(4) 0.6619(4) 0.3017(3) 4.00(9) 1.0000C(26) -0.2194(4) 0.6640(4) 0.2432(3) 5.7(1) 1.0000C(27) 0.2379(4) 0.0125(4) 0.4631(2) 3.80(8) 1.0000C(28) 0.0214(4) 0.1467(4) 0.5328(2) 3.50(8) 1.0000C(29) 0.2604(4) 0.1216(4) 0.5864(2) 4.27(9) 1.0000C(30) 0.4475(4) 0.1819(4) 0.4252(3) 4.28(10) 1.0000C(31) 0.3426(4) 0.3767(5) 0.5050(3) 4.7(1) 1.0000C(32) 0.3327(4) 0.4400(4) 0.3396(3) 3.87(9) 1.0000


atom x y z Beq occH(1) 0.4937 -0.0720 0.1447 3.5 1.0000H(2) 0.4177 -0.0815 0.0822 3.5 1.0000H(3) 0.3674 0.1200 0.0255 3.5 1.0000H(4) 0.5042 0.0803 0.0427 3.5 1.0000H(5) -0.1030 0.4983 0.4110 2.6 1.0000H(6) -0.0840 0.3617 0.4373 2.6 1.0000H(7) 0.0659 0.3855 0.4977 2.3 1.0000H(8) 0.0947 0.4717 0.4261 2.3 1.0000H(9) 0.0210 0.1328 0.1510 9.1 1.0000H(10) -0.0362 0.0540 0.1215 9.1 1.0000H(11) 0.0237 0.0074 0.2013 9.1 1.0000H(12) 0.1772 -0.2173 0.1656 5.6 1.0000H(13) 0.1091 -0.1685 0.0883 5.6 1.0000H(14) 0.2479 -0.2087 0.0929 5.6 1.0000H(15) 0.2451 0.0206 -0.0128 7.9 1.0000H(16) 0.1063 0.0618 -0.0176 7.9 1.0000H(17) 0.1734 0.1427 0.0007 7.9 1.0000H(18) 0.1815 -0.0823 0.3269 5.0 1.0000H(19) 0.1546 -0.1618 0.2820 5.0 1.0000H(20) 0.2367 -0.2204 0.3540 5.0 1.0000H(21) 0.4749 -0.1903 0.3617 4.4 1.0000H(22) 0.5312 -0.1264 0.2922 4.4 1.0000H(23) 0.4263 -0.0523 0.3298 4.4 1.0000H(24) 0.4384 -0.3530 0.2792 5.2 1.0000H(25) 0.3703 -0.3049 0.2018 5.2 1.0000H(26) 0.4947 -0.2892 0.2096 5.2 1.0000H(27) 0.4242 0.4441 0.1067 4.9 1.0000H(28) 0.3095 0.5338 0.0617 4.9 1.0000H(29) 0.2994 0.4503 0.1397 4.9 1.0000H(30) 0.1369 0.4497 -0.0033 4.9 1.0000H(31) 0.1601 0.3156 0.0019 4.9 1.0000H(32) 0.1274 0.3608 0.0727 4.9 1.0000H(33) 0.4869 0.3450 -0.0370 5.3 1.0000H(34) 0.3917 0.3043 -0.0683 5.3 1.0000H(35) 0.3681 0.4387 -0.0743 5.3 1.0000H(36) 0.6156 0.2426 0.2473 7.1 1.0000H(37) 0.4882 0.3229 0.2157 7.1 1.0000H(38) 0.5060 0.1983 0.2721 7.1 1.0000H(39) 0.7191 0.2444 0.1000 3.7 1.0000H(40) 0.6641 0.2080 0.0395 3.7 1.0000H(41) 0.6006 0.3290 0.0570 3.7 1.0000H(42) 0.6243 -0.0303 0.2242 7.3 1.0000H(43) 0.6798 -0.0211 0.1463 7.3 1.0000H(44) 0.7341 0.0160 0.2068 7.3 1.0000H(45) -0.1902 0.4616 0.1717 5.2 1.0000


atom x y z Beq occH(46) -0.1005 0.3353 0.1785 5.2 1.0000H(47) -0.2363 0.3519 0.1854 5.2 1.0000H(48) -0.3256 0.5060 0.3213 5.8 1.0000H(49) -0.3632 0.3938 0.3249 5.8 1.0000H(50) -0.2955 0.3990 0.3928 5.8 1.0000H(51) -0.1838 0.1620 0.3266 3.6 1.0000H(52) -0.0479 0.1471 0.3239 3.6 1.0000H(53) -0.1168 0.1684 0.3944 3.6 1.0000H(54) 0.0948 0.5346 0.1745 5.4 1.0000H(55) -0.0211 0.5241 0.1445 5.4 1.0000H(56) -0.0073 0.6493 0.1359 5.4 1.0000H(57) 0.0922 0.6225 0.3119 4.0 1.0000H(58) -0.0024 0.7390 0.2674 4.0 1.0000H(59) -0.0286 0.6717 0.3470 4.0 1.0000H(60) -0.2268 0.7412 0.2104 5.7 1.0000H(61) -0.2628 0.6258 0.2222 5.7 1.0000H(62) -0.2541 0.6744 0.2898 5.7 1.0000H(63) 0.2329 -0.0579 0.4993 3.8 1.0000H(64) 0.1964 0.0217 0.4181 3.8 1.0000H(65) 0.3207 0.0030 0.4528 3.8 1.0000H(66) -0.0102 0.2089 0.5566 3.5 1.0000H(67) -0.0315 0.1593 0.4919 3.5 1.0000H(68) 0.0255 0.0718 0.5679 3.5 1.0000H(69) 0.2618 0.0468 0.6216 4.3 1.0000H(70) 0.3413 0.1194 0.5761 4.3 1.0000H(71) 0.2253 0.1841 0.6098 4.3 1.0000H(72) 0.4439 0.1180 0.4680 4.3 1.0000H(73) 0.4413 0.1567 0.3813 4.3 1.0000H(74) 0.5220 0.1954 0.4265 4.3 1.0000H(75) 0.3392 0.3192 0.5513 4.7 1.0000H(76) 0.4187 0.3898 0.5036 4.7 1.0000H(77) 0.2815 0.4499 0.5034 4.7 1.0000H(78) 0.4079 0.4531 0.3400 3.9 1.0000H(79) 0.3212 0.4200 0.2956 3.9 1.0000H(80) 0.2709 0.5140 0.3399 3.9 1.0000



atom U11 U22 U33 U12 U13 U23Si(1) 0.0305(5) 0.0338(6) 0.0331(6) -0.0075(4) 0.0042(4) -0.0132(5)Si(2C) 0.042(3) 0.041(3) 0.038(2) -0.007(2) 0.008(2) -0.020(2)Si(2A) 0.0315(10) 0.052(1) 0.045(1) -0.0136(9) 0.0064(8) -0.032(1)Si(2B) 0.042(2) 0.044(2) 0.036(2) -0.002(2) 0.007(2) -0.017(2)Si(2D) 0.035(3) 0.047(3) 0.041(3) -0.012(2) 0.006(2) -0.024(2)Si(3) 0.0273(5) 0.0296(5) 0.0307(5) -0.0046(4) -0.0016(4) -0.0120(4)Si(4) 0.0521(8) 0.0599(9) 0.0640(9) -0.0193(7) -0.0148(6) -0.0276(7)Si(5) 0.0357(6) 0.0403(6) 0.0451(7) -0.0163(5) 0.0046(5) -0.0048(5)Si(6) 0.0454(7) 0.0353(6) 0.0403(6) -0.0088(5) -0.0072(5) -0.0011(5)Si(7) 0.0299(6) 0.0514(7) 0.0407(6) -0.0138(5) 0.0017(5) -0.0033(5)Si(8) 0.0318(6) 0.0344(6) 0.0540(7) -0.0107(5) -0.0129(5) -0.0117(5)Si(9) 0.0379(6) 0.0247(5) 0.0474(7) -0.0057(5) -0.0130(5) -0.0059(5)Si(10) 0.0297(5) 0.0339(6) 0.0314(5) -0.0086(4) -0.0036(4) -0.0061(4)Si(11) 0.0228(5) 0.0365(6) 0.0450(6) -0.0088(4) -0.0034(4) -0.0102(5)C(1) 0.029(2) 0.036(2) 0.038(2) -0.009(2) 0.005(2) -0.015(2)C(2) 0.036(2) 0.033(2) 0.027(2) -0.012(2) 0.000(2) -0.008(2)C(3) 0.027(2) 0.027(2) 0.032(2) -0.007(1) -0.004(1) -0.011(2)C(4) 0.019(2) 0.027(2) 0.032(2) -0.004(1) -0.002(1) -0.011(1)C(5) 0.055(3) 0.040(2) 0.045(2) -0.018(2) 0.019(2) -0.021(2)C(6) 0.057(3) 0.042(2) 0.041(2) -0.018(2) 0.015(2) -0.020(2)C(7) 0.025(2) 0.031(2) 0.042(2) -0.006(2) -0.001(2) -0.013(2)C(8) 0.023(2) 0.031(2) 0.035(2) -0.007(1) 0.002(1) -0.014(2)C(9) 0.034(3) 0.142(6) 0.194(8) -0.003(3) -0.030(4) -0.108(6)C(10) 0.078(4) 0.085(4) 0.076(4) -0.050(3) 0.004(3) -0.035(3)C(11) 0.146(6) 0.092(5) 0.074(4) -0.061(4) -0.061(4) -0.002(3)C(12) 0.059(3) 0.091(4) 0.059(3) -0.047(3) 0.018(2) -0.025(3)C(13) 0.043(3) 0.058(3) 0.054(3) -0.013(2) -0.010(2) 0.005(2)C(14) 0.059(3) 0.042(3) 0.092(4) -0.015(2) 0.005(3) -0.009(3)C(15) 0.060(3) 0.036(3) 0.088(4) -0.010(2) -0.003(3) -0.016(2)C(16) 0.058(3) 0.061(3) 0.054(3) -0.006(2) -0.022(2) -0.003(2)C(17) 0.076(4) 0.070(4) 0.041(3) -0.023(3) -0.002(2) 0.008(2)C(18) 0.055(3) 0.182(7) 0.064(3) -0.061(4) 0.009(3) -0.058(4)C(19) 0.044(2) 0.057(3) 0.047(2) -0.025(2) 0.010(2) -0.014(2)C(20) 0.036(3) 0.077(4) 0.128(5) -0.016(3) -0.006(3) 0.033(4)C(21) 0.090(4) 0.048(3) 0.062(3) -0.031(3) -0.039(3) -0.003(2)C(22) 0.031(2) 0.074(4) 0.127(5) -0.019(2) -0.001(3) -0.042(4)C(23) 0.052(3) 0.046(2) 0.049(2) -0.031(2) -0.003(2) -0.007(2)C(24) 0.109(5) 0.041(3) 0.047(3) -0.024(3) -0.008(3) 0.005(2)C(25) 0.049(3) 0.033(2) 0.067(3) -0.012(2) -0.006(2) -0.009(2)C(26) 0.050(3) 0.041(3) 0.111(5) -0.004(2) -0.029(3) -0.007(3)C(27) 0.051(3) 0.037(2) 0.049(3) -0.011(2) 0.000(2) -0.002(2)C(28) 0.040(2) 0.042(2) 0.047(2) -0.016(2) 0.002(2) -0.002(2)C(29) 0.055(3) 0.064(3) 0.039(2) -0.022(2) -0.012(2) -0.002(2)C(30) 0.028(2) 0.054(3) 0.066(3) -0.006(2) 0.002(2) 0.001(2)C(31) 0.048(3) 0.075(4) 0.069(3) -0.029(3) -0.012(2) -0.027(3)C(32) 0.032(2) 0.042(2) 0.070(3) -0.016(2) 0.000(2) -0.006(2)


Sup 35


Sup 36Table S18. Experimental details of X-ray analysis of trisilaallene (Crystal 2, -50 °C)

A. Crystal DataEmpirical Formula C32H80Si11Formula Weight 773.92Crystal Color, Habit Green, PlateCrystal Dimensions 0.10 � 0.20 � 0.40 mmCrystal System triclinicLattice Type PrimitiveNo. of Reflections Used for UnitCell Determination (2� range) 6814 (6.6 - 55.0°)Lattice Parameters

a = 11.794(3) Å, b = 12.273(2) Å, c = 18.666(4) Å,� = 73.969(9) °, �� = 87.29(1)°,�� = 72.022(9)°, V = 2467.8(9) Å3


B. Intensity Measurements Diffractometer Rigaku/MSC Mercury CCDRadiation MoK� ( = 0.71070 Å), graphite monochromatedTemperature -50.0°CVoltage, Current 50 kV, 40 mACollimator Size 0.5 mmDetector Aperture 70 mm � 70 mmData Images 900 exposures oscillation Range (� = 45.0°, ��= 0.0°, ��= 90.0°) -75.0 - 105.0°Exposure Rate 50.0 sec./ °Detector Swing Angle 15.10°Detector Position 40.09 mm2�max 55.0°No. of Reflections Measured Total: 23066, Unique: 10971 (Rint = 0.042)Corrections Lorentz-polarization, Absorption

(trans. factors: 0.7942 - 0.9695)


where P = (Fo2 + 2Fc2)/3No. of Reflections (I>2�(I)) 6937No. Variables 419Reflection/Parameter Ratio 16.56Residuals: R; Rw 0.075 ; 0.170Goodness of Fit Indicator 1.07Max Shift/Error in Final Cycle 0.00Maximum/Minimun peak in Final Diff. Map 0.43/-0.35 e-/Å3


atom x y z Beq occSi(1) 0.30401(9) 0.12956(9) 0.18437(5) 2.98(2) 1.0000Si(2A) 0.1541(2) 0.2049(3) 0.2472(1) 3.63(5) 0.517(3)Si(2B) 0.1818(5) 0.2741(6) 0.2259(3) 3.85(9) 0.222(3)Si(2C) 0.2273(6) 0.1608(6) 0.2846(3) 3.77(10) 0.194(3)Si(2D) 0.263(1) 0.236(2) 0.2651(9) 3.56(10) 0.067(2)Si(3) 0.11893(8) 0.30768(9) 0.32858(5) 2.72(2) 1.0000Si(4) 0.1690(1) -0.0141(1) 0.11590(8) 5.36(3) 1.0000Si(5) 0.3488(1) -0.1424(1) 0.25380(6) 3.83(2) 1.0000Si(6) 0.3320(1) 0.3391(1) 0.04952(6) 4.07(2) 1.0000Si(7) 0.5583(1) 0.1691(1) 0.14929(6) 4.13(2) 1.0000Si(8) -0.1542(1) 0.3520(1) 0.30008(7) 3.86(2) 1.0000Si(9) -0.0559(1) 0.57075(9) 0.25988(6) 3.65(2) 1.0000Si(10) 0.17329(9) 0.14686(9) 0.49924(5) 3.12(2) 1.0000Si(11) 0.32097(9) 0.3207(1) 0.42442(6) 3.43(2) 1.0000C(1) 0.3069(3) -0.0145(3) 0.1643(2) 2.97(6) 1.0000C(2) 0.4072(3) 0.1815(3) 0.1107(2) 2.82(6) 1.0000C(3) -0.0367(3) 0.4153(3) 0.3248(2) 2.63(6) 1.0000C(4) 0.1704(3) 0.2923(3) 0.4268(2) 2.47(6) 1.0000C(5) 0.4158(4) -0.0308(4) 0.1115(2) 4.35(9) 1.0000C(6) 0.4235(4) 0.0901(4) 0.0640(2) 4.24(9) 1.0000C(7) -0.0498(3) 0.4207(3) 0.4078(2) 2.96(6) 1.0000C(8) 0.0717(3) 0.3997(3) 0.4448(2) 2.78(6) 1.0000C(9) 0.0278(5) 0.0500(7) 0.1575(5) 11.4(3) 1.0000C(10) 0.1738(5) -0.1669(5) 0.1155(3) 6.8(1) 1.0000C(11) 0.1596(8) 0.0653(7) 0.0137(4) 11.4(3) 1.0000C(12) 0.2180(5) -0.1532(5) 0.3115(3) 6.1(1) 1.0000C(13) 0.4593(4) -0.1262(4) 0.3155(3) 5.3(1) 1.0000C(14) 0.4233(5) -0.2871(4) 0.2320(3) 6.5(1) 1.0000C(15) 0.3430(5) 0.4534(4) 0.0944(3) 6.1(1) 1.0000C(16) 0.1706(4) 0.3704(5) 0.0280(3) 5.9(1) 1.0000C(17) 0.4022(5) 0.3608(5) -0.0435(3) 6.7(1) 1.0000C(18) 0.5463(5) 0.2295(7) 0.2304(3) 8.7(2) 1.0000C(19) 0.6453(4) 0.2454(4) 0.0774(3) 4.88(9) 1.0000C(20) 0.6582(4) 0.0127(5) 0.1801(4) 9.6(2) 1.0000C(21) -0.1709(5) 0.3769(4) 0.1979(3) 6.6(1) 1.0000C(22) -0.3011(4) 0.4200(5) 0.3371(4) 7.2(1) 1.0000C(23) -0.1208(4) 0.1885(4) 0.3419(2) 4.56(9) 1.0000C(24) 0.0121(5) 0.5693(4) 0.1685(3) 6.5(1) 1.0000C(25) 0.0090(4) 0.6607(4) 0.3018(3) 4.76(9) 1.0000C(26) -0.2160(5) 0.6619(4) 0.2421(4) 7.2(1) 1.0000C(27) 0.2378(4) 0.0137(4) 0.4643(2) 4.60(9) 1.0000C(28) 0.0214(4) 0.1467(4) 0.5331(2) 4.35(8) 1.0000C(29) 0.2591(4) 0.1240(5) 0.5863(2) 5.5(1) 1.0000C(30) 0.4474(4) 0.1845(4) 0.4262(3) 5.4(1) 1.0000C(31) 0.3407(4) 0.3786(5) 0.5043(3) 5.9(1) 1.0000C(32) 0.3332(4) 0.4394(4) 0.3397(3) 4.84(9) 1.0000


atom x y z Beq occ H(1) 0.4898 -0.0714 0.1427 4.4 1.0000H(2) 0.4112 -0.0802 0.0814 4.4 1.0000H(3) 0.3600 0.1223 0.0254 4.2 1.0000H(4) 0.4971 0.0820 0.0395 4.2 1.0000H(5) -0.1019 0.4970 0.4098 3.0 1.0000H(6) -0.0832 0.3610 0.4360 3.0 1.0000H(7) 0.0646 0.3845 0.4976 2.8 1.0000H(8) 0.0945 0.4708 0.4268 2.8 1.0000H(9) 0.0185 0.1275 0.1592 11.4 1.0000H(10) -0.0388 0.0493 0.1298 11.4 1.0000H(11) 0.0257 0.0004 0.2079 11.4 1.0000H(12) 0.1054 -0.1671 0.0907 6.8 1.0000H(13) 0.2437 -0.2046 0.0920 6.8 1.0000H(14) 0.1777 -0.2177 0.1663 6.8 1.0000H(15) 0.1603 0.1480 0.0053 11.4 1.0000H(16) 0.2314 0.0290 -0.0115 11.4 1.0000H(17) 0.0931 0.0672 -0.0122 11.4 1.0000H(18) 0.1847 -0.0842 0.3286 6.1 1.0000H(19) 0.1578 -0.1643 0.2845 6.1 1.0000H(20) 0.2417 -0.2214 0.3555 6.1 1.0000H(21) 0.4820 -0.1920 0.3587 5.3 1.0000H(22) 0.5293 -0.1178 0.2894 5.3 1.0000H(23) 0.4252 -0.0547 0.3322 5.3 1.0000H(24) 0.4419 -0.3521 0.2764 6.5 1.0000H(25) 0.3710 -0.3032 0.2004 6.5 1.0000H(26) 0.4948 -0.2861 0.2064 6.5 1.0000H(27) 0.4269 0.4393 0.1090 6.1 1.0000H(28) 0.3140 0.5312 0.0640 6.1 1.0000H(29) 0.3018 0.4473 0.1411 6.1 1.0000H(30) 0.1380 0.4503 -0.0038 5.9 1.0000H(31) 0.1601 0.3169 0.0015 5.9 1.0000H(32) 0.1274 0.3621 0.0720 5.9 1.0000H(33) 0.4868 0.3448 -0.0373 6.7 1.0000H(34) 0.3908 0.3059 -0.0688 6.7 1.0000H(35) 0.3688 0.4392 -0.0742 6.7 1.0000H(36) 0.6206 0.2227 0.2513 8.7 1.0000H(37) 0.5025 0.3180 0.2153 8.7 1.0000H(38) 0.4998 0.1973 0.2690 8.7 1.0000H(39) 0.7179 0.2420 0.0996 4.9 1.0000H(40) 0.6616 0.2100 0.0378 4.9 1.0000H(41) 0.5995 0.3283 0.0581 4.9 1.0000H(42) 0.6235 -0.0358 0.2176 9.6 1.0000H(43) 0.6757 -0.0218 0.1389 9.6 1.0000H(44) 0.7335 0.0097 0.2002 9.6 1.0000H(45) -0.1857 0.4580 0.1710 6.6 1.0000


atom x y z Beq occH(46) -0.0956 0.3323 0.1790 6.6 1.0000H(47) -0.2310 0.3482 0.1851 6.6 1.0000H(48) -0.3240 0.5054 0.3190 7.2 1.0000H(49) -0.3608 0.3927 0.3240 7.2 1.0000H(50) -0.2940 0.4003 0.3912 7.2 1.0000H(51) -0.1819 0.1619 0.3282 4.6 1.0000H(52) -0.0464 0.1467 0.3254 4.6 1.0000H(53) -0.1154 0.1701 0.3952 4.6 1.0000H(54) 0.0988 0.5315 0.1749 6.5 1.0000H(55) -0.0168 0.5225 0.1440 6.5 1.0000H(56) -0.0015 0.6464 0.1357 6.5 1.0000H(57) 0.0925 0.6202 0.3141 4.8 1.0000H(58) 0.0008 0.7364 0.2677 4.8 1.0000H(59) -0.0298 0.6715 0.3465 4.8 1.0000H(60) -0.2227 0.7383 0.2077 7.2 1.0000H(61) -0.2582 0.6231 0.2196 7.2 1.0000H(62) -0.2523 0.6730 0.2867 7.2 1.0000H(63) 0.2437 -0.0577 0.5032 4.6 1.0000H(64) 0.1892 0.0160 0.4241 4.6 1.0000H(65) 0.3162 0.0104 0.4468 4.6 1.0000H(66) -0.0111 0.2092 0.5560 4.4 1.0000H(67) -0.0306 0.1573 0.4923 4.4 1.0000H(68) 0.0260 0.0723 0.5687 4.4 1.0000H(69) 0.2592 0.0502 0.6219 5.5 1.0000H(70) 0.3392 0.1218 0.5764 5.5 1.0000H(71) 0.2229 0.1871 0.6092 5.5 1.0000H(72) 0.4434 0.1200 0.4685 5.4 1.0000H(73) 0.4427 0.1591 0.3820 5.4 1.0000H(74) 0.5214 0.1979 0.4282 5.4 1.0000H(75) 0.3359 0.3226 0.5508 5.9 1.0000H(76) 0.4156 0.3925 0.5032 5.9 1.0000H(77) 0.2787 0.4521 0.5019 5.9 1.0000H(78) 0.4080 0.4531 0.3407 4.8 1.0000H(79) 0.3228 0.4190 0.2961 4.8 1.0000H(80) 0.2712 0.5134 0.3395 4.8 1.0000



atom U11 U22 U33 U12 U13 U23Si(1) 0.0366(5) 0.0410(6) 0.0377(5) -0.0103(4) 0.0077(4) -0.0172(4)Si(2A) 0.036(1) 0.065(2) 0.052(1) -0.018(1) 0.0104(9) -0.038(1)Si(2B) 0.049(2) 0.055(2) 0.038(2) -0.005(2) 0.010(2) -0.019(2)Si(2C) 0.053(2) 0.050(2) 0.040(2) -0.008(2) 0.012(2) -0.023(2)Si(2D) 0.041(2) 0.059(3) 0.045(3) -0.017(2) 0.008(2) -0.031(2)Si(3) 0.0339(5) 0.0342(5) 0.0355(5) -0.0058(4) 0.0000(4) -0.0152(4)Si(4) 0.0664(9) 0.0730(9) 0.0764(9) -0.0270(7) -0.0177(7) -0.0305(7)Si(5) 0.0442(6) 0.0468(7) 0.0540(7) -0.0196(5) 0.0077(5) -0.0073(5)Si(6) 0.0562(7) 0.0427(7) 0.0473(6) -0.0116(5) -0.0043(5) -0.0016(5)Si(7) 0.0362(6) 0.0640(8) 0.0507(7) -0.0183(5) 0.0053(5) -0.0037(6)Si(8) 0.0423(6) 0.0427(6) 0.0638(7) -0.0150(5) -0.0171(5) -0.0127(5)Si(9) 0.0481(6) 0.0291(6) 0.0573(7) -0.0083(5) -0.0132(5) -0.0068(5)Si(10) 0.0386(6) 0.0410(6) 0.0358(5) -0.0110(5) -0.0030(4) -0.0065(4)Si(11) 0.0296(5) 0.0461(6) 0.0553(7) -0.0119(5) -0.0037(5) -0.0141(5)C(1) 0.037(2) 0.043(2) 0.039(2) -0.017(2) 0.006(2) -0.017(2)C(2) 0.042(2) 0.035(2) 0.030(2) -0.011(2) 0.004(1) -0.010(1)C(3) 0.031(2) 0.030(2) 0.039(2) -0.006(1) -0.003(1) -0.013(1)C(4) 0.027(2) 0.034(2) 0.034(2) -0.006(1) -0.003(1) -0.012(1)C(5) 0.072(3) 0.049(2) 0.057(3) -0.025(2) 0.029(2) -0.032(2)C(6) 0.071(3) 0.049(2) 0.049(2) -0.025(2) 0.023(2) -0.023(2)C(7) 0.031(2) 0.036(2) 0.047(2) -0.007(2) 0.000(2) -0.018(2)C(8) 0.034(2) 0.040(2) 0.037(2) -0.010(2) 0.003(1) -0.021(2)C(9) 0.046(3) 0.166(7) 0.252(9) -0.006(4) -0.039(4) -0.130(7)C(10) 0.096(4) 0.099(4) 0.096(4) -0.057(4) 0.004(3) -0.044(3)C(11) 0.220(8) 0.131(6) 0.096(5) -0.101(6) -0.098(5) 0.016(4)C(12) 0.076(3) 0.106(4) 0.072(3) -0.061(3) 0.026(3) -0.029(3)C(13) 0.056(3) 0.072(3) 0.060(3) -0.019(2) -0.010(2) 0.005(2)C(14) 0.082(4) 0.051(3) 0.103(4) -0.019(3) 0.011(3) -0.010(3)C(15) 0.077(3) 0.038(3) 0.112(4) -0.014(2) 0.001(3) -0.017(3)C(16) 0.070(3) 0.077(3) 0.059(3) -0.008(3) -0.024(2) -0.003(2)C(17) 0.097(4) 0.091(4) 0.046(3) -0.029(3) -0.001(3) 0.011(3)C(18) 0.070(4) 0.225(8) 0.070(3) -0.075(5) 0.011(3) -0.064(4)C(19) 0.057(3) 0.066(3) 0.068(3) -0.030(2) 0.014(2) -0.015(2)C(20) 0.038(3) 0.089(4) 0.185(7) -0.015(3) -0.001(3) 0.045(4)C(21) 0.114(4) 0.060(3) 0.080(3) -0.040(3) -0.052(3) -0.001(3)C(22) 0.038(3) 0.093(4) 0.155(6) -0.022(3) -0.003(3) -0.052(4)C(23) 0.063(3) 0.053(3) 0.065(3) -0.034(2) -0.005(2) -0.009(2)C(24) 0.126(5) 0.051(3) 0.059(3) -0.025(3) -0.006(3) 0.000(2)C(25) 0.065(3) 0.034(2) 0.080(3) -0.019(2) -0.008(2) -0.008(2)C(26) 0.064(3) 0.043(3) 0.148(5) 0.001(2) -0.040(3) -0.012(3)C(27) 0.066(3) 0.039(2) 0.060(3) -0.012(2) 0.003(2) -0.004(2)C(28) 0.055(3) 0.058(3) 0.051(2) -0.025(2) 0.005(2) -0.003(2)C(29) 0.071(3) 0.086(4) 0.044(2) -0.027(3) -0.014(2) 0.000(2)C(30) 0.034(2) 0.064(3) 0.090(3) -0.006(2) 0.004(2) -0.003(3)C(31) 0.059(3) 0.099(4) 0.087(3) -0.041(3) -0.010(3) -0.038(3)C(32) 0.041(2) 0.053(3) 0.091(3) -0.022(2) 0.003(2) -0.012(2)


Sup 41


Sup 42Table S21. Experimental details of X-ray analysis of trisilaallene (Crystal 2, 0 °C)

A. Crystal Data Empirical Formula C32H80Si11Formula Weight 773.92Crystal Color, Habit Green, PlateletCrystal Dimensions 0.10 � 0.20 � 0.40 mmCrystal System triclinicLattice Type PrimitiveNo. of Reflections Used for UnitCell Determination (2� range) 6048 ( 6.5 - 61.0° )Lattice Parameters

a = 11.804(3) Å, b = 12.328(2) Å, c = 18.731(4) Å� = 73.913(9)°, � = 87.19(1)°, � = 71.981(9) °, V = 2488.5(9) Å3


B. Intensity Measurements Diffractometer Rigaku/MSC Mercury CCDRadiation MoK� (� = 0.71070 Å), graphite monochromatedTemperature 0.0 °CVoltage, Current 50 kV, 40 mACollimator Size 0.5 mmDetector Aperture 70 mm � 70 mmData Images 900 exposures� oscillation Range (��= 45.0°, ��= 0.0°, 90.0°) -75.0 - 105.0°Exposure Rate 50.0 sec./ °Detector Swing Angle 15.11°Detector Position 40.09 mm2�max 61.2°No. of Reflections Measured Total: 25090, Unique: 12555 (Rint = 0.048)Corrections Lorentz-polarization, Absorption

(trans. factors: 0.7537 - 0.9697)



Sup 43Table S22. Atomic coordinates, Biso/Beq and occupancy (Crystal 2, 0 °C )atom x y z Beq occSi(1) 0.30282(9) 0.1310(1) 0.18377(6) 3.56(2) 1.0000Si(2C) 0.2266(6) 0.1624(6) 0.2841(3) 4.61(10) 0.217(3)Si(2A) 0.1548(3) 0.2048(3) 0.2477(2) 4.35(6) 0.460(3)Si(2B) 0.1818(6) 0.2737(6) 0.2269(3) 4.74(10) 0.228(3)Si(2D) 0.263(1) 0.235(1) 0.2641(7) 4.35(10) 0.095(3)Si(3) 0.11945(9) 0.30720(9) 0.32896(6) 3.32(2) 1.0000Si(4) 0.1658(1) -0.0118(2) 0.11738(9) 6.54(4) 1.0000Si(5) 0.3483(1) -0.1408(1) 0.25301(7) 4.68(3) 1.0000Si(6) 0.3321(1) 0.3391(1) 0.04954(7) 5.07(3) 1.0000Si(7) 0.5580(1) 0.1675(1) 0.14797(7) 5.07(3) 1.0000Si(8) -0.1532(1) 0.3523(1) 0.30000(7) 4.75(3) 1.0000Si(9) -0.0542(1) 0.5696(1) 0.26010(7) 4.52(3) 1.0000Si(10) 0.1736(1) 0.1474(1) 0.49904(6) 3.98(2) 1.0000Si(11) 0.3209(1) 0.3209(1) 0.42444(7) 4.33(2) 1.0000C(1) 0.3051(3) -0.0127(3) 0.1645(2) 3.64(7) 1.0000C(2) 0.4061(3) 0.1819(3) 0.1101(2) 3.43(7) 1.0000C(3) -0.0362(3) 0.4151(3) 0.3246(2) 3.31(7) 1.0000C(4) 0.1704(3) 0.2926(3) 0.4266(2) 3.05(6) 1.0000C(5) 0.4114(4) -0.0283(4) 0.1105(3) 5.3(1) 1.0000C(6) 0.4204(4) 0.0915(4) 0.0628(2) 5.2(1) 1.0000C(7) -0.0493(3) 0.4204(3) 0.4073(2) 3.82(7) 1.0000C(8) 0.0717(3) 0.3993(3) 0.4445(2) 3.56(7) 1.0000C(9) 0.0276(6) 0.0497(8) 0.1615(6) 13.4(3) 1.0000C(10) 0.1691(6) -0.1618(6) 0.1157(4) 8.4(2) 1.0000C(11) 0.1539(9) 0.0682(8) 0.0160(4) 14.0(3) 1.0000C(12) 0.2192(5) -0.1529(6) 0.3122(3) 7.3(1) 1.0000C(13) 0.4600(5) -0.1261(5) 0.3138(3) 6.6(1) 1.0000C(14) 0.4220(6) -0.2842(5) 0.2307(4) 7.7(1) 1.0000C(15) 0.3445(5) 0.4521(5) 0.0940(4) 7.6(1) 1.0000C(16) 0.1706(5) 0.3717(5) 0.0286(3) 7.0(1) 1.0000C(17) 0.4026(6) 0.3607(6) -0.0434(3) 7.9(2) 1.0000C(18) 0.5478(6) 0.2238(8) 0.2301(4) 10.7(2) 1.0000C(19) 0.6447(5) 0.2446(5) 0.0769(3) 6.4(1) 1.0000C(20) 0.6575(5) 0.0113(6) 0.1765(5) 11.8(3) 1.0000C(21) -0.1694(6) 0.3763(5) 0.1986(3) 8.4(2) 1.0000C(22) -0.3001(5) 0.4207(6) 0.3354(4) 8.9(2) 1.0000C(23) -0.1208(4) 0.1898(4) 0.3426(3) 5.5(1) 1.0000C(24) 0.0143(6) 0.5675(5) 0.1695(3) 8.0(2) 1.0000C(25) 0.0109(5) 0.6583(4) 0.3020(3) 6.1(1) 1.0000C(26) -0.2134(5) 0.6606(5) 0.2419(4) 8.7(2) 1.0000C(27) 0.2379(5) 0.0150(4) 0.4642(3) 5.9(1) 1.0000C(28) 0.0220(4) 0.1465(4) 0.5329(3) 5.5(1) 1.0000C(29) 0.2588(5) 0.1246(5) 0.5857(3) 6.7(1) 1.0000C(30) 0.4474(4) 0.1851(5) 0.4269(3) 6.6(1) 1.0000C(31) 0.3401(5) 0.3781(6) 0.5044(3) 7.5(1) 1.0000C(32) 0.3342(4) 0.4383(4) 0.3397(3) 5.9(1) 1.0000

Sup 44Table S22. Atomic coordinates, Biso/Beq and occupancy (Crystal 2, 0 °C )

atom x y z Beq occH(1) 0.4868 -0.0705 0.1404 5.3 1.0000H(2) 0.4050 -0.0774 0.0805 5.3 1.0000H(3) 0.3555 0.1250 0.0246 5.2 1.0000H(4) 0.4929 0.0839 0.0374 5.2 1.0000H(5) -0.1010 0.4970 0.4093 3.8 1.0000H(6) -0.0833 0.3617 0.4357 3.8 1.0000H(7) 0.0633 0.3837 0.4972 3.6 1.0000H(8) 0.0937 0.4701 0.4270 3.6 1.0000H(9) 0.0202 0.1276 0.1625 13.4 1.0000H(10) -0.0396 0.0526 0.1323 13.4 1.0000H(11) 0.0261 0.0007 0.2097 13.4 1.0000H(12) 0.1682 -0.2118 0.1660 8.4 1.0000H(13) 0.1025 -0.1602 0.0885 8.4 1.0000H(14) 0.2407 -0.2009 0.0944 8.4 1.0000H(15) 0.1516 0.1531 0.0092 14.0 1.0000H(16) 0.2207 0.0366 -0.0106 14.0 1.0000H(17) 0.0827 0.0740 -0.0080 14.0 1.0000H(18) 0.1868 -0.0829 0.3294 7.3 1.0000H(19) 0.1572 -0.1609 0.2852 7.3 1.0000H(20) 0.2426 -0.2198 0.3551 7.3 1.0000H(21) 0.4787 -0.1882 0.3587 6.6 1.0000H(22) 0.5323 -0.1233 0.2889 6.6 1.0000H(23) 0.4292 -0.0512 0.3278 6.6 1.0000H(24) 0.4407 -0.3482 0.2761 7.7 1.0000H(25) 0.3699 -0.2997 0.2003 7.7 1.0000H(26) 0.4936 -0.2826 0.2061 7.7 1.0000H(27) 0.4295 0.4378 0.1076 7.6 1.0000H(28) 0.3163 0.5300 0.0635 7.6 1.0000H(29) 0.3049 0.4465 0.1407 7.6 1.0000H(30) 0.1371 0.4500 -0.0035 7.0 1.0000H(31) 0.1594 0.3171 0.0018 7.0 1.0000H(32) 0.1267 0.3620 0.0720 7.0 1.0000H(33) 0.4878 0.3449 -0.0372 7.9 1.0000H(34) 0.3929 0.3050 -0.0684 7.9 1.0000H(35) 0.3699 0.4381 -0.0744 7.9 1.0000H(36) 0.6219 0.2188 0.2500 10.7 1.0000H(37) 0.5037 0.3142 0.2151 10.7 1.0000H(38) 0.5014 0.1934 0.2681 10.7 1.0000H(39) 0.7185 0.2395 0.0987 6.4 1.0000H(40) 0.6599 0.2121 0.0362 6.4 1.0000H(41) 0.6001 0.3280 0.0589 6.4 1.0000H(42) 0.6236 -0.0391 0.2123 11.8 1.0000H(43) 0.6754 -0.0212 0.1337 11.8 1.0000H(44) 0.7336 0.0063 0.1963 11.8 1.0000H(45) -0.1843 0.4566 0.1714 8.4 1.0000H(46) -0.0946 0.3312 0.1798 8.4 1.0000H(47) -0.2300 0.3475 0.1861 8.4 1.0000

Sup 45Table S22. Atomic coordinates, Biso/Beq and occupancy (Crystal 2, 0 °C )

atom x y z Beq occH(48) -0.3226 0.5058 0.3181 8.9 1.0000H(49) -0.3592 0.3931 0.3245 8.9 1.0000H(50) -0.2922 0.4024 0.3907 8.9 1.0000H(51) -0.1823 0.1636 0.3292 5.5 1.0000H(52) -0.0467 0.1474 0.3265 5.5 1.0000H(53) -0.1159 0.1723 0.3958 5.5 1.0000H(54) 0.1023 0.5290 0.1767 8.0 1.0000H(55) -0.0126 0.5198 0.1453 8.0 1.0000H(56) 0.0026 0.6433 0.1367 8.0 1.0000H(57) 0.0940 0.6183 0.3135 6.1 1.0000H(58) 0.0011 0.7341 0.2684 6.1 1.0000H(59) -0.0276 0.6676 0.3470 6.1 1.0000H(60) -0.2197 0.7363 0.2087 8.7 1.0000H(61) -0.2557 0.6219 0.2206 8.7 1.0000H(62) -0.2492 0.6713 0.2875 8.7 1.0000H(63) 0.2442 -0.0565 0.5023 5.9 1.0000H(64) 0.1893 0.0175 0.4236 5.9 1.0000H(65) 0.3163 0.0117 0.4461 5.9 1.0000H(66) -0.0105 0.2088 0.5560 5.5 1.0000H(67) -0.0298 0.1570 0.4926 5.5 1.0000H(68) 0.0271 0.0725 0.5687 5.5 1.0000H(69) 0.2587 0.0515 0.6209 6.7 1.0000H(70) 0.3385 0.1230 0.5755 6.7 1.0000H(71) 0.2221 0.1878 0.6081 6.7 1.0000H(72) 0.4429 0.1199 0.4686 6.6 1.0000H(73) 0.4426 0.1587 0.3825 6.6 1.0000H(74) 0.5215 0.1968 0.4284 6.6 1.0000H(75) 0.3338 0.3218 0.5505 7.5 1.0000H(76) 0.4144 0.3911 0.5039 7.5 1.0000H(77) 0.2776 0.4509 0.5020 7.5 1.0000H(78) 0.4088 0.4525 0.3419 5.9 1.0000H(79) 0.3251 0.4181 0.2968 5.9 1.0000H(80) 0.2720 0.5124 0.3397 5.9 1.0000


Sup 46Table S23. Anisotropic Displacement Parameters (Crystal 2, 0 °C )

atom U11 U22 U33 U12 U13 U23Si(1) 0.0433(6) 0.0497(7) 0.0459(6) -0.0137(5) 0.0079(5) -0.0205(5)Si(2C) 0.062(3) 0.058(3) 0.052(2) -0.008(2) 0.010(2) -0.024(2)Si(2A) 0.046(1) 0.072(2) 0.063(2) -0.019(1) 0.009(1) -0.043(2)Si(2B) 0.060(3) 0.062(3) 0.051(2) -0.004(2) 0.007(2) -0.020(2)Si(2D) 0.050(3) 0.068(3) 0.057(3) -0.018(2) 0.007(2) -0.034(2)Si(3) 0.0410(6) 0.0420(6) 0.0431(6) -0.0079(5) -0.0005(4) -0.0168(5)Si(4) 0.0762(10) 0.090(1) 0.097(1) -0.0323(9) -0.0219(8) -0.0377(9)Si(5) 0.0563(7) 0.0556(7) 0.0652(8) -0.0236(6) 0.0087(6) -0.0091(6)Si(6) 0.0709(9) 0.0540(8) 0.0559(7) -0.0146(6) -0.0026(6) -0.0008(6)Si(7) 0.0464(7) 0.0767(9) 0.0638(8) -0.0233(6) 0.0056(6) -0.0062(7)Si(8) 0.0514(7) 0.0529(7) 0.0786(8) -0.0185(6) -0.0199(6) -0.0152(6)Si(9) 0.0595(7) 0.0373(6) 0.0695(8) -0.0104(5) -0.0141(6) -0.0086(5)Si(10) 0.0503(7) 0.0526(7) 0.0437(6) -0.0133(5) -0.0042(5) -0.0076(5)Si(11) 0.0368(6) 0.0606(8) 0.0686(8) -0.0149(5) -0.0039(5) -0.0192(6)C(1) 0.044(2) 0.048(2) 0.051(2) -0.017(2) 0.006(2) -0.020(2)C(2) 0.050(2) 0.046(2) 0.035(2) -0.015(2) 0.003(2) -0.013(2)C(3) 0.039(2) 0.039(2) 0.047(2) -0.007(2) -0.007(2) -0.015(2)C(4) 0.037(2) 0.037(2) 0.042(2) -0.008(2) -0.001(2) -0.014(2)C(5) 0.085(3) 0.063(3) 0.070(3) -0.033(3) 0.033(3) -0.037(2)C(6) 0.092(4) 0.063(3) 0.057(3) -0.034(3) 0.026(2) -0.030(2)C(7) 0.037(2) 0.047(2) 0.059(2) -0.005(2) 0.000(2) -0.022(2)C(8) 0.046(2) 0.048(2) 0.045(2) -0.013(2) 0.002(2) -0.021(2)C(9) 0.059(4) 0.190(8) 0.30(1) -0.014(4) -0.042(5) -0.146(8)C(10) 0.117(5) 0.126(5) 0.118(5) -0.076(4) 0.007(4) -0.058(4)C(11) 0.25(1) 0.170(8) 0.130(6) -0.125(8) -0.122(7) 0.017(5)C(12) 0.093(4) 0.122(5) 0.082(4) -0.067(4) 0.026(3) -0.028(3)C(13) 0.068(3) 0.087(4) 0.074(3) -0.019(3) -0.013(3) 0.008(3)C(14) 0.101(4) 0.065(4) 0.120(5) -0.024(3) 0.012(4) -0.016(3)C(15) 0.106(5) 0.054(3) 0.127(5) -0.025(3) 0.005(4) -0.022(3)C(16) 0.083(4) 0.090(4) 0.071(3) -0.007(3) -0.025(3) -0.002(3)C(17) 0.109(5) 0.111(5) 0.056(3) -0.032(4) 0.003(3) 0.015(3)C(18) 0.086(4) 0.269(10) 0.092(4) -0.090(6) 0.012(3) -0.079(5)C(19) 0.070(3) 0.090(4) 0.085(4) -0.042(3) 0.021(3) -0.015(3)C(20) 0.044(3) 0.091(5) 0.249(9) -0.011(3) -0.008(4) 0.043(5)C(21) 0.152(6) 0.083(4) 0.089(4) -0.055(4) -0.066(4) 0.000(3)C(22) 0.043(3) 0.113(5) 0.195(7) -0.023(3) -0.006(4) -0.061(5)C(23) 0.076(3) 0.066(3) 0.077(3) -0.040(3) -0.005(2) -0.013(2)C(24) 0.163(6) 0.069(4) 0.062(3) -0.038(4) -0.002(3) 0.002(3)C(25) 0.085(4) 0.046(3) 0.096(4) -0.025(3) -0.011(3) -0.006(2)C(26) 0.081(4) 0.053(3) 0.176(6) -0.004(3) -0.041(4) -0.009(4)C(27) 0.086(4) 0.051(3) 0.075(3) -0.014(3) 0.002(3) -0.007(2)C(28) 0.070(3) 0.073(3) 0.063(3) -0.032(3) 0.010(2) -0.004(2)C(29) 0.090(4) 0.100(4) 0.057(3) -0.034(3) -0.021(3) 0.000(3)C(30) 0.042(3) 0.084(4) 0.103(4) -0.008(2) 0.008(2) -0.006(3)C(31) 0.074(4) 0.127(5) 0.108(4) -0.047(3) -0.012(3) -0.053(4)C(32) 0.058(3) 0.059(3) 0.110(4) -0.030(2) 0.005(3) -0.014(3)


Sup 47

Figure S7. ORTEP drawing of trisilaallene (Crystal 2, 0 °C ). Thermal ellipsoids are shown at the 30%probability level. Hydrogen atoms are omitted for clarity.

Table S24. Populations of A–D isomers of Trisilaallene 1 at Various Temperatures Determined by X-rayCrystallography.

PopulationCrystal Temperature/°C

A B C D

1 -150.0 0.755(2) 0.175(2) 0.070(2) 0.0

2 -145.9 0.716(3) 0.185(3) 0.099(2) 0.0

2 -100.0 0.606(3) 0.208(3) 0.150(3) 0.036(3)

1 -50.0 0.528(3) 0.220(3) 0.186(3) 0.065(2)

2 -50.0 0.517(3) 0.222(3) 0.194(3) 0.067(2)

2 0.0 0.460(3) 0.228(3) 0.217(3) 0.095(3)

Sup 48

4. X-ray analysis of 1,3-dihydroxytrisilane 5

Table S25. Experimental details of X-ray analysis of 5 at -123 °C

A. Crystal Data Empirical Formula C32H84Si11O2Formula Weight 809.95Crystal Color, Habit Colorless, PrismCrystal Dimensions 0.40 � 0.10 � 0.25 mmCrystal System triclinicLattice Type PrimitiveNo. of Reflections Used for UnitCell Determination (2� range) 8342 ( 6.2 - 55.0° )Lattice Parameters

a = 11.490(3) Å, b = 13.609(3) Å, c = 17.614(4) Å� = 65.681(9)°, = 76.09(1)°, � = 75.60(1)°, V = 2401.3(9) Å3

Space Group P-1 (#2)Z value 2Dcalc 1.120 g/cm3F000 892.00 (MoK�) 3.24 cm-1

B. Intensity MeasurementsDiffractometer Rigaku/MSC Mercury CCDRadiation MoK� (� = 0.71070 Å)

graphite monochromatedTemperature -123.0 °CVoltage, Current 50 kV, 40 mACollimator Size 0.0 mmDetector Aperture 70 mm � 70 mmData Images 1200 exposures� oscillation Range (=45.0, �=0.0) -70.0 - 110.0°Exposure Rate 83.3 sec./°Detector Swing Angle 20.10°Detector Position 39.98 mm� oscillation Range (=45.0, �=90.0) -70.0 - 110.0°Exposure Rate 83.3 sec./°Detector Swing Angle 20.10°Detector Position 39.98 mm2�max 55.0°No. of Reflections Measured Total: 20835, Unique: 10677 (Rint = 0.029)Corrections Lorentz-polarization

C. Structure Solution and RefinementStructure Solution Direct Methods (SHELXS-97)Refinement Full-matrix least-squares (SHELXL-97)Function Minimized � w (Fo2 - Fc2)2 Least Squares Weights w = 1/[�2(Fo2) + (0.0732P)2 + 2.5505P]

where P = (Fo2 + 2Fc2)/3No. of Reflections (I > 2�(I)) 8490No. Variables 407Reflection/Parameter Ratio 20.86Residuals: R; Rw 0.058; 0.159Goodness of Fit Indicator 1.06Max Shift/Error in Final Cycle 0.20Maximum peak in Final Diff. Map 1.74 e-/Å3Minimum peak in Final Diff. Map -0.78 e-/Å3

Sup 49Table S26. Atomic coordinates and Biso/Beq

atom x y z BeqSi(1) 0.70873(6) 0.66712(6) 0.23310(5) 1.17(1)Si(2) 0.50180(7) 0.77343(7) 0.11949(5) 1.82(1)Si(3) 0.42481(8) 0.72445(7) 0.31095(5) 2.25(2)Si(4) 0.84237(8) 0.69876(6) 0.36945(5) 1.83(1)Si(5) 0.91449(7) 0.80900(6) 0.17578(5) 1.68(1)Si(6) 0.79355(6) 0.35423(6) 0.24186(4) 1.13(1)Si(7) 1.01104(7) 0.23910(7) 0.35956(5) 1.90(1)Si(8) 1.06441(7) 0.27679(7) 0.16828(5) 1.94(2)Si(9) 0.58009(8) 0.20648(7) 0.34456(5) 2.02(2)Si(10) 0.61642(8) 0.29587(6) 0.14992(5) 1.99(2)Si(11) 0.73498(8) 0.47696(6) 0.31466(5) 1.73(1)O(1) 0.7825(2) 0.6659(2) 0.1391(1) 1.89(3)O(2) 0.8159(2) 0.4520(2) 0.1447(1) 2.10(4)C(1) 0.5540(2) 0.7592(2) 0.2189(2) 1.24(4)C(2) 0.5885(3) 0.8704(2) 0.2054(2) 1.53(4)C(3) 0.6762(3) 0.8516(2) 0.2654(2) 1.56(4)C(4) 0.7837(2) 0.7535(2) 0.2637(2) 1.29(4)C(5) 0.3428(3) 0.8496(3) 0.1095(2) 2.82(6)C(6) 0.5099(4) 0.6381(3) 0.1137(3) 4.12(9)C(7) 0.5958(3) 0.8538(3) 0.0206(2) 2.88(6)C(8) 0.4684(4) 0.6647(3) 0.4184(2) 3.64(8)C(9) 0.3473(4) 0.6194(3) 0.3101(3) 4.9(1)C(10) 0.3102(4) 0.8502(3) 0.3095(3) 4.33(10)C(11) 0.7634(4) 0.5943(3) 0.4618(2) 2.99(6)C(12) 1.0067(4) 0.6331(3) 0.3664(3) 3.61(8)C(13) 0.8228(4) 0.8151(3) 0.4055(2) 3.09(7)C(14) 0.8648(3) 0.9033(3) 0.0726(2) 2.58(6)C(15) 0.9864(3) 0.9003(3) 0.2013(3) 2.86(6)C(16) 1.0366(3) 0.6983(3) 0.1560(2) 2.81(6)C(17) 0.9414(2) 0.2533(2) 0.2663(2) 1.38(4)C(18) 0.9012(3) 0.1399(2) 0.2906(2) 1.84(5)C(19) 0.7986(3) 0.1533(2) 0.2442(2) 1.58(4)C(20) 0.6967(2) 0.2555(2) 0.2454(2) 1.29(4)C(21) 1.1119(4) 0.1011(3) 0.3988(2) 3.51(7)C(22) 1.1076(4) 0.3445(3) 0.3321(3) 3.44(7)C(23) 0.8986(3) 0.2365(3) 0.4565(2) 2.75(6)C(24) 1.1038(4) 0.4186(3) 0.1206(3) 3.65(7)C(25) 1.2110(3) 0.1794(4) 0.1901(3) 3.78(8)C(26) 1.0235(4) 0.2529(3) 0.0811(2) 3.37(7)C(27) 0.4646(4) 0.3191(4) 0.3654(3) 4.16(9)C(28) 0.4983(3) 0.1053(3) 0.3403(2) 3.05(6)C(29) 0.6482(4) 0.1279(4) 0.4435(2) 4.22(9)C(30) 0.4529(3) 0.3619(3) 0.1630(3) 3.61(8)C(31) 0.6187(5) 0.1705(3) 0.1293(3) 4.05(9)C(32) 0.6839(3) 0.3915(3) 0.0458(2) 2.81(6)


atom x y z Beq H(1) 0.8089 0.5997 0.1303 1.9H(2) 0.8259 0.4297 0.0988 9.9H(3) 0.5144 0.9288 0.2085 1.5H(4) 0.6324 0.8972 0.1489 1.5H(5) 0.6255 0.8287 0.3319 1.6H(6) 0.7136 0.9150 0.2537 1.6H(7) 0.3379 0.9157 0.1184 2.8H(8) 0.2850 0.8087 0.1575 2.8H(9) 0.3244 0.8674 0.0519 2.8H(10) 0.5782 0.5796 0.1430 4.1H(11) 0.4645 0.5939 0.1628 4.1H(12) 0.5013 0.6386 0.0607 4.1H(13) 0.5971 0.9380 0.0161 2.9H(14) 0.6759 0.8179 0.0087 2.9H(15) 0.5562 0.8617 -0.0234 2.9H(16) 0.5291 0.5961 0.4257 3.6H(17) 0.3985 0.6693 0.4628 3.6H(18) 0.4826 0.7306 0.4192 3.6H(19) 0.2939 0.5835 0.3603 4.9H(20) 0.4120 0.5613 0.3003 4.9H(21) 0.3036 0.6480 0.2605 4.9H(22) 0.2949 0.8990 0.2501 4.3H(23) 0.2364 0.8335 0.3479 4.3H(24) 0.3524 0.8967 0.3227 4.3H(25) 0.8018 0.5737 0.5076 3.0H(26) 0.7758 0.5320 0.4522 3.0H(27) 0.6779 0.6209 0.4743 3.0H(28) 1.0186 0.5501 0.3603 3.6H(29) 1.0743 0.6713 0.3191 3.6H(30) 1.0263 0.6204 0.4236 3.6H(31) 0.8457 0.8810 0.3663 3.1H(32) 0.8621 0.7951 0.4522 3.1H(33) 0.7420 0.8373 0.4215 3.1H(34) 0.8118 0.9698 0.0695 2.6H(35) 0.8274 0.8736 0.0448 2.6H(36) 0.9427 0.9203 0.0284 2.6H(37) 1.0561 0.9232 0.1528 2.9H(38) 1.0362 0.8579 0.2496 2.9H(39) 0.9324 0.9599 0.2100 2.9H(40) 1.0645 0.6489 0.2075 2.8H(41) 1.1034 0.7296 0.1171 2.8H(42) 1.0058 0.6594 0.1333 2.8H(43) 0.9784 0.0818 0.2786 1.8H(44) 0.8764 0.1092 0.3511 1.8H(45) 0.8379 0.1623 0.1827 1.6H(46) 0.7662 0.0906 0.2714 1.6H(47) 1.1909 0.1010 0.3643 3.5H(48) 1.1188 0.0773 0.4588 3.5H(49) 1.0766 0.0263 0.4130 3.5H(50) 1.1886 0.3390 0.2824 3.4H(51) 1.1430 0.3372 0.3902 3.4H(52) 1.0472 0.4145 0.3244 3.4H(53) 0.9401 0.2451 0.4911 2.8H(54) 0.8185 0.2922 0.4423 2.8


atom x y z Beq H(55) 0.8939 0.1635 0.4796 2.8H(56) 1.1690 0.4243 0.0748 3.7H(57) 1.1256 0.4360 0.1616 3.7H(58) 1.0343 0.4715 0.0992 3.7H(59) 1.2440 0.1865 0.2370 3.8H(60) 1.1648 0.1239 0.2019 3.8H(61) 1.2655 0.2031 0.1242 3.8H(62) 1.0956 0.2645 0.0362 3.4H(63) 0.9476 0.2957 0.0624 3.4H(64) 1.0285 0.1671 0.1025 3.4H(65) 0.4306 0.3731 0.3158 4.2H(66) 0.4023 0.2800 0.4123 4.2H(67) 0.5001 0.3539 0.3997 4.2H(68) 0.4398 0.1400 0.2886 3.0H(69) 0.4470 0.0862 0.3964 3.0H(70) 0.5569 0.0328 0.3377 3.0H(71) 0.5966 0.1032 0.4903 4.2H(72) 0.7144 0.0551 0.4470 4.2H(73) 0.6968 0.1728 0.4501 4.2H(74) 0.4179 0.3788 0.1106 3.6H(75) 0.4097 0.3120 0.2130 3.6H(76) 0.4466 0.4319 0.1713 3.6H(77) 0.5949 0.1948 0.0672 4.0H(78) 0.7064 0.1497 0.1009 4.0H(79) 0.5885 0.1057 0.1876 4.0H(80) 0.7732 0.3617 0.0205 2.8H(81) 0.6781 0.4716 0.0443 2.8H(82) 0.6328 0.3941 0.0077 2.8H(83) 0.8180 0.4557 0.3606 1.7H(84) 0.6321 0.4563 0.3634 1.7


Sup 52Table S27. Anisotropic Displacement Parameters

atom U11 U22 U33 U12 U13 U23Si(1) 0.0121(3) 0.0140(3) 0.0208(4) -0.0012(3) -0.0029(3) -0.0092(3)Si(2) 0.0196(4) 0.0258(4) 0.0281(4) 0.0005(3) -0.0107(3) -0.0130(3)Si(3) 0.0161(4) 0.0250(4) 0.0267(4) 0.0022(3) 0.0034(3) 0.0008(3)Si(4) 0.0273(4) 0.0217(4) 0.0251(4) 0.0034(3) -0.0135(3) -0.0122(3)Si(5) 0.0159(4) 0.0201(4) 0.0302(4) -0.0059(3) -0.0014(3) -0.0113(3)Si(6) 0.0143(3) 0.0130(3) 0.0167(3) -0.0027(3) -0.0030(3) -0.0063(3)Si(7) 0.0205(4) 0.0266(4) 0.0269(4) -0.0008(3) -0.0097(3) -0.0105(3)Si(8) 0.0170(4) 0.0273(4) 0.0287(4) -0.0022(3) 0.0012(3) -0.0136(3)Si(9) 0.0201(4) 0.0264(4) 0.0288(4) -0.0101(3) 0.0039(3) -0.0098(3)Si(10) 0.0333(5) 0.0183(4) 0.0292(4) -0.0061(3) -0.0172(4) -0.0063(3)Si(11) 0.0303(4) 0.0154(4) 0.0204(4) 0.0003(3) -0.0074(3) -0.0075(3)O(1) 0.025(1) 0.024(1) 0.024(1) -0.0059(8) 0.0023(8) -0.0125(8)O(2) 0.032(1) 0.024(1) 0.024(1) -0.0070(9) -0.0027(9) -0.0084(8)C(1) 0.015(1) 0.014(1) 0.018(1) -0.0025(9) -0.0030(10) -0.0058(10)C(2) 0.021(1) 0.013(1) 0.023(1) -0.0012(10) -0.008(1) -0.005(1)C(3) 0.021(1) 0.014(1) 0.030(1) 0.0003(10) -0.008(1) -0.013(1)C(4) 0.016(1) 0.015(1) 0.020(1) -0.0018(10) -0.0039(10) -0.0083(10)C(5) 0.024(2) 0.040(2) 0.039(2) -0.001(1) -0.013(1) -0.008(1)C(6) 0.063(3) 0.040(2) 0.076(3) 0.004(2) -0.042(2) -0.034(2)C(7) 0.030(2) 0.056(2) 0.020(1) 0.001(2) -0.007(1) -0.014(1)C(8) 0.043(2) 0.046(2) 0.024(2) 0.006(2) 0.007(1) -0.002(1)C(9) 0.039(2) 0.043(2) 0.081(3) -0.024(2) -0.019(2) 0.015(2)C(10) 0.035(2) 0.047(2) 0.047(2) 0.019(2) 0.012(2) -0.008(2)C(11) 0.053(2) 0.036(2) 0.025(2) -0.001(2) -0.012(1) -0.013(1)C(12) 0.033(2) 0.055(2) 0.051(2) 0.014(2) -0.024(2) -0.024(2)C(13) 0.054(2) 0.037(2) 0.039(2) 0.003(2) -0.026(2) -0.024(2)C(14) 0.031(2) 0.031(2) 0.030(2) -0.013(1) 0.002(1) -0.005(1)C(15) 0.026(2) 0.033(2) 0.061(2) -0.010(1) -0.003(2) -0.027(2)C(16) 0.022(2) 0.036(2) 0.054(2) -0.004(1) 0.001(1) -0.027(2)C(17) 0.014(1) 0.016(1) 0.025(1) -0.0012(10) -0.003(1) -0.011(1)C(18) 0.020(1) 0.015(1) 0.034(2) -0.002(1) -0.009(1) -0.007(1)C(19) 0.020(1) 0.012(1) 0.030(1) -0.0035(10) -0.006(1) -0.008(1)C(20) 0.017(1) 0.014(1) 0.019(1) -0.0034(10) -0.0023(10) -0.0077(10)C(21) 0.039(2) 0.042(2) 0.045(2) 0.017(2) -0.020(2) -0.015(2)C(22) 0.040(2) 0.048(2) 0.054(2) -0.013(2) -0.013(2) -0.024(2)C(23) 0.038(2) 0.042(2) 0.026(2) -0.002(1) -0.010(1) -0.014(1)C(24) 0.041(2) 0.043(2) 0.050(2) -0.021(2) 0.006(2) -0.012(2)C(25) 0.027(2) 0.060(3) 0.054(2) 0.004(2) -0.002(2) -0.028(2)C(26) 0.038(2) 0.063(2) 0.034(2) -0.010(2) 0.005(2) -0.030(2)C(27) 0.037(2) 0.054(2) 0.071(3) -0.008(2) 0.012(2) -0.038(2)C(28) 0.034(2) 0.029(2) 0.051(2) -0.016(1) -0.005(2) -0.008(2)C(29) 0.049(2) 0.077(3) 0.024(2) -0.030(2) 0.002(2) -0.002(2)C(30) 0.034(2) 0.031(2) 0.061(2) -0.011(1) -0.024(2) 0.006(2)C(31) 0.089(3) 0.031(2) 0.052(2) -0.008(2) -0.043(2) -0.017(2)C(32) 0.046(2) 0.041(2) 0.024(2) -0.009(2) -0.014(1) -0.010(1)


Sup 53Table S28. Bond Lengths(Å)

atom atom distance atom atom distanceSi(1) Si(11) 2.369(1) Si(1) O(1) 1.673(2)Si(1) C(1) 1.908(3) Si(1) C(4) 1.914(4)Si(2) C(1) 1.905(3) Si(2) C(5) 1.872(3)Si(2) C(6) 1.864(5) Si(2) C(7) 1.873(3)Si(3) C(1) 1.902(3) Si(3) C(8) 1.865(4)Si(3) C(9) 1.870(6) Si(3) C(10) 1.878(4)Si(4) C(4) 1.921(3) Si(4) C(11) 1.876(3)Si(4) C(12) 1.876(4) Si(4) C(13) 1.883(5)Si(5) C(4) 1.925(3) Si(5) C(14) 1.868(3)Si(5) C(15) 1.891(5) Si(5) C(16) 1.872(4)Si(6) Si(11) 2.383(1) Si(6) O(2) 1.688(2)Si(6) C(17) 1.914(3) Si(6) C(20) 1.921(3)Si(7) C(17) 1.915(4) Si(7) C(21) 1.893(4)Si(7) C(22) 1.867(5) Si(7) C(23) 1.870(3)Si(8) C(17) 1.918(3) Si(8) C(24) 1.885(4)Si(8) C(25) 1.877(4) Si(8) C(26) 1.877(5)Si(9) C(20) 1.911(3) Si(9) C(27) 1.861(5)Si(9) C(28) 1.883(5) Si(9) C(29) 1.871(4)Si(10) C(20) 1.927(3) Si(10) C(30) 1.875(4)Si(10) C(31) 1.878(5) Si(10) C(32) 1.874(3)C(1) C(2) 1.568(4) C(2) C(3) 1.537(5)C(3) C(4) 1.583(4) C(17) C(18) 1.580(4)C(18) C(19) 1.525(5) C(19) C(20) 1.584(4)

Sup 54Table S28. Bond Lengths(Å)

atom atom distance atom atom distanceSi(11) H 1.30 Si(11) H 1.30O(1) H(1) 0.94 O(2) H(2) 0.95C(2) H(3) 1.02 C(2) H(4) 0.96C(3) H(5) 1.13 C(3) H(6) 0.98C(5) H(7) 0.96 C(5) H(8) 1.00C(5) H(9) 1.00 C(6) H(10) 1.03C(6) H(11) 0.95 C(6) H(12) 0.96C(7) H(13) 1.12 C(7) H(14) 0.95C(7) H(15) 0.95 C(8) H(16) 1.00C(8) H(17) 0.99 C(8) H(18) 0.96C(9) H(19) 0.96 C(9) H(20) 0.98C(9) H(21) 1.00 C(10) H(22) 1.01C(10) H(23) 0.96 C(10) H(24) 1.01C(11) H(25) 0.92 C(11) H(26) 0.90C(11) H(27) 0.96 C(12) H(28) 1.15C(12) H(29) 1.05 C(12) H(30) 1.02C(13) H(31) 0.93 C(13) H(32) 0.94C(13) H(33) 0.91 C(14) H(34) 0.95C(14) H(35) 0.97 C(14) H(36) 1.04C(15) H(37) 1.02 C(15) H(38) 1.02C(15) H(39) 0.93 C(16) H(40) 0.95C(16) H(41) 0.95 C(16) H(42) 0.95C(18) H(43) 1.07 C(18) H(44) 0.97C(19) H(45) 1.04 C(19) H(46) 0.91C(21) H(47) 0.96 C(21) H(48) 0.99C(21) H(49) 1.10 C(22) H(50) 1.12C(22) H(51) 1.15 C(22) H(52) 1.01C(23) H(53) 0.92 C(23) H(54) 1.05C(23) H(55) 0.92 C(24) H(56) 0.95C(24) H(57) 0.95 C(24) H(58) 0.97C(25) H(59) 1.03 C(25) H(60) 0.96C(25) H(61) 1.13 C(26) H(62) 0.99C(26) H(63) 0.97 C(26) H(64) 1.06C(27) H(65) 0.97 C(27) H(66) 1.01C(27) H(67) 1.10 C(28) H(68) 1.13C(28) H(69) 0.99 C(28) H(70) 1.06C(29) H(71) 0.88 C(29) H(72) 1.08C(29) H(73) 0.98 C(30) H(74) 1.01C(30) H(75) 0.97 C(30) H(76) 1.00C(31) H(77) 1.09 C(31) H(78) 1.04C(31) H(79) 1.09 C(32) H(80) 1.07C(32) H(81) 1.06 C(32) H(82) 0.98

Sup 55Table S29. Bond Angles(°)

atom atom atom angle atom atom atom angleSi(11) Si(1) O(1) 100.14(8) Si(11) Si(1) C(1) 123.97(8)Si(11) Si(1) C(4) 116.41(8) O(1) Si(1) C(1) 109.0(1)O(1) Si(1) C(4) 107.7(1) C(1) Si(1) C(4) 99.0(1)C(1) Si(2) C(5) 113.0(2) C(1) Si(2) C(6) 112.2(2)C(1) Si(2) C(7) 112.6(2) C(5) Si(2) C(6) 107.9(2)C(5) Si(2) C(7) 104.1(1) C(6) Si(2) C(7) 106.6(2)C(1) Si(3) C(8) 116.1(2) C(1) Si(3) C(9) 111.6(2)C(1) Si(3) C(10) 110.9(1) C(8) Si(3) C(9) 103.7(2)C(8) Si(3) C(10) 104.5(2) C(9) Si(3) C(10) 109.5(2)C(4) Si(4) C(11) 117.7(2) C(4) Si(4) C(12) 114.7(2)C(4) Si(4) C(13) 109.1(1) C(11) Si(4) C(12) 103.3(2)C(11) Si(4) C(13) 103.6(2) C(12) Si(4) C(13) 107.4(2)C(4) Si(5) C(14) 114.1(1) C(4) Si(5) C(15) 111.0(2)C(4) Si(5) C(16) 113.1(1) C(14) Si(5) C(15) 101.8(2)C(14) Si(5) C(16) 107.7(2) C(15) Si(5) C(16) 108.4(2)Si(11) Si(6) O(2) 95.42(10) Si(11) Si(6) C(17) 114.9(1)Si(11) Si(6) C(20) 125.74(9) O(2) Si(6) C(17) 110.3(1)O(2) Si(6) C(20) 111.5(1) C(17) Si(6) C(20) 98.9(1)C(17) Si(7) C(21) 110.4(2) C(17) Si(7) C(22) 113.1(2)C(17) Si(7) C(23) 114.6(2) C(21) Si(7) C(22) 106.7(2)C(21) Si(7) C(23) 101.8(1) C(22) Si(7) C(23) 109.4(2)C(17) Si(8) C(24) 113.9(2) C(17) Si(8) C(25) 112.6(1)C(17) Si(8) C(26) 113.5(2) C(24) Si(8) C(25) 106.3(2)C(24) Si(8) C(26) 106.3(2) C(25) Si(8) C(26) 103.4(2)C(20) Si(9) C(27) 113.7(1) C(20) Si(9) C(28) 111.5(2)C(20) Si(9) C(29) 114.0(2) C(27) Si(9) C(28) 108.5(2)C(27) Si(9) C(29) 105.6(2) C(28) Si(9) C(29) 102.7(2)C(20) Si(10) C(30) 114.8(2) C(20) Si(10) C(31) 109.6(2)C(20) Si(10) C(32) 117.5(2) C(30) Si(10) C(31) 106.4(2)C(30) Si(10) C(32) 103.6(2) C(31) Si(10) C(32) 103.8(2)Si(1) Si(11) Si(6) 117.93(4) Si(1) C(1) Si(2) 111.6(1)Si(1) C(1) Si(3) 117.4(1) Si(1) C(1) C(2) 99.7(2)Si(2) C(1) Si(3) 109.0(2) Si(2) C(1) C(2) 109.1(2)Si(3) C(1) C(2) 109.6(2) C(1) C(2) C(3) 110.5(2)C(2) C(3) C(4) 110.9(3) Si(1) C(4) Si(4) 122.1(1)Si(1) C(4) Si(5) 109.7(2) Si(1) C(4) C(3) 101.5(2)Si(4) C(4) Si(5) 107.5(2) Si(4) C(4) C(3) 106.2(2)Si(5) C(4) C(3) 109.1(2) Si(6) C(17) Si(7) 118.9(2)Si(6) C(17) Si(8) 111.5(1) Si(6) C(17) C(18) 102.1(2)Si(7) C(17) Si(8) 108.9(1) Si(7) C(17) C(18) 106.0(2)Si(8) C(17) C(18) 108.7(2) C(17) C(18) C(19) 111.1(2)C(18) C(19) C(20) 112.2(3) Si(6) C(20) Si(9) 116.8(2)Si(6) C(20) Si(10) 117.7(1) Si(6) C(20) C(19) 100.6(2)Si(9) C(20) Si(10) 107.2(1) Si(9) C(20) C(19) 107.4(1)Si(10) C(20) C(19) 105.9(2)

Sup 56Table S29. Bond Angles(°) (continued)

atom atom atom angle atom atom atom angle Si(1) Si(11) H 107.3 Si(1) Si(11) H 107.4Si(6) Si(11) H 107.3 Si(6) Si(11) H 107.3H Si(11) H 109.4 Si(1) O(1) H(1) 120.6Si(6) O(2) H(2) 116.0 C(1) C(2) H(3) 112.8C(1) C(2) H(4) 106.7 C(3) C(2) H(3) 113.0C(3) C(2) H(4) 106.8 H(3) C(2) H(4) 106.5C(2) C(3) H(5) 109.1 C(2) C(3) H(6) 115.1C(4) C(3) H(5) 107.3 C(4) C(3) H(6) 107.0H(5) C(3) H(6) 107.2 Si(2) C(5) H(7) 106.8Si(2) C(5) H(8) 109.7 Si(2) C(5) H(9) 110.4H(7) C(5) H(8) 104.0 H(7) C(5) H(9) 110.2H(8) C(5) H(9) 115.2 Si(2) C(6) H(10) 112.8Si(2) C(6) H(11) 109.8 Si(2) C(6) H(12) 116.9H(10) C(6) H(11) 78.8 H(10) C(6) H(12) 115.5H(11) C(6) H(12) 117.3 Si(2) C(7) H(13) 113.5Si(2) C(7) H(14) 115.3 Si(2) C(7) H(15) 104.5H(13) C(7) H(14) 110.4 H(13) C(7) H(15) 107.3H(14) C(7) H(15) 104.9 Si(3) C(8) H(16) 110.7Si(3) C(8) H(17) 112.8 Si(3) C(8) H(18) 97.4H(16) C(8) H(17) 121.3 H(16) C(8) H(18) 125.6H(17) C(8) H(18) 85.3 Si(3) C(9) H(19) 118.2Si(3) C(9) H(20) 106.5 Si(3) C(9) H(21) 111.9H(19) C(9) H(20) 106.1 H(19) C(9) H(21) 109.0H(20) C(9) H(21) 104.0 Si(3) C(10) H(22) 111.3Si(3) C(10) H(23) 112.6 Si(3) C(10) H(24) 105.9H(22) C(10) H(23) 112.5 H(22) C(10) H(24) 101.1H(23) C(10) H(24) 112.7 Si(4) C(11) H(25) 108.7Si(4) C(11) H(26) 109.5 Si(4) C(11) H(27) 112.1H(25) C(11) H(26) 103.4 H(25) C(11) H(27) 111.3H(26) C(11) H(27) 111.5 Si(4) C(12) H(28) 109.7Si(4) C(12) H(29) 121.4 Si(4) C(12) H(30) 104.6H(28) C(12) H(29) 103.2 H(28) C(12) H(30) 109.2H(29) C(12) H(30) 108.5 Si(4) C(13) H(31) 118.5Si(4) C(13) H(32) 112.2 Si(4) C(13) H(33) 110.0H(31) C(13) H(32) 106.7 H(31) C(13) H(33) 101.2H(32) C(13) H(33) 107.3 Si(5) C(14) H(34) 118.8Si(5) C(14) H(35) 117.5 Si(5) C(14) H(36) 107.5H(34) C(14) H(35) 103.2 H(34) C(14) H(36) 109.0H(35) C(14) H(36) 98.8 Si(5) C(15) H(37) 105.4Si(5) C(15) H(38) 113.0 Si(5) C(15) H(39) 114.4H(37) C(15) H(38) 98.8 H(37) C(15) H(39) 112.8H(38) C(15) H(39) 111.2 Si(5) C(16) H(40) 109.8Si(5) C(16) H(41) 109.7 Si(5) C(16) H(42) 110.0H(40) C(16) H(41) 108.9 H(40) C(16) H(42) 109.2H(41) C(16) H(42) 109.1 C(17) C(18) H(43) 110.0C(17) C(18) H(44) 108.7 C(19) C(18) H(43) 111.8C(19) C(18) H(44) 110.9 H(43) C(18) H(44) 104.0C(18) C(19) H(45) 106.7 C(18) C(19) H(46) 106.0C(20) C(19) H(45) 110.4 C(20) C(19) H(46) 109.9H(45) C(19) H(46) 111.5 Si(7) C(21) H(47) 111.2Si(7) C(21) H(48) 112.0 Si(7) C(21) H(49) 119.6H(47) C(21) H(48) 111.2 H(47) C(21) H(49) 111.0H(48) C(21) H(49) 90.0 Si(7) C(22) H(50) 112.8Si(7) C(22) H(51) 111.4 Si(7) C(22) H(52) 103.9H(50) C(22) H(51) 107.7 H(50) C(22) H(52) 121.3H(51) C(22) H(52) 98.9 Si(7) C(23) H(53) 105.6

Sup 57Table S29. Bond Angles(°) (continued)

atom atom atom angle atom atom atom angleSi(7) C(23) H(54) 112.1 Si(7) C(23) H(55) 98.9H(53) C(23) H(54) 116.4 H(53) C(23) H(55) 104.1H(54) C(23) H(55) 117.7 Si(8) C(24) H(56) 110.5Si(8) C(24) H(57) 110.7 Si(8) C(24) H(58) 109.7H(56) C(24) H(57) 109.5 H(56) C(24) H(58) 108.1H(57) C(24) H(58) 108.2 Si(8) C(25) H(59) 110.5Si(8) C(25) H(60) 85.1 Si(8) C(25) H(61) 100.3H(59) C(25) H(60) 121.9 H(59) C(25) H(61) 118.7H(60) C(25) H(61) 112.1 Si(8) C(26) H(62) 104.9Si(8) C(26) H(63) 114.9 Si(8) C(26) H(64) 105.4H(62) C(26) H(63) 114.4 H(62) C(26) H(64) 101.2H(63) C(26) H(64) 114.7 Si(9) C(27) H(65) 114.0Si(9) C(27) H(66) 104.0 Si(9) C(27) H(67) 110.1H(65) C(27) H(66) 113.8 H(65) C(27) H(67) 114.3H(66) C(27) H(67) 99.2 Si(9) C(28) H(68) 114.6Si(9) C(28) H(69) 100.4 Si(9) C(28) H(70) 113.2H(68) C(28) H(69) 110.5 H(68) C(28) H(70) 110.0H(69) C(28) H(70) 107.5 Si(9) C(29) H(71) 116.1Si(9) C(29) H(72) 118.4 Si(9) C(29) H(73) 109.1H(71) C(29) H(72) 101.4 H(71) C(29) H(73) 109.8H(72) C(29) H(73) 100.8 Si(10) C(30) H(74) 109.2Si(10) C(30) H(75) 108.1 Si(10) C(30) H(76) 109.8 H(74) C(30) H(75) 111.6 H(74) C(30) H(76) 109.1H(75) C(30) H(76) 108.9 Si(10) C(31) H(77) 109.4Si(10) C(31) H(78) 106.8 Si(10) C(31) H(79) 110.3H(77) C(31) H(78) 84.6 H(77) C(31) H(79) 127.9H(78) C(31) H(79) 113.9 Si(10) C(32) H(80) 115.8Si(10) C(32) H(81) 113.4 Si(10) C(32) H(82) 102.1H(80) C(32) H(81) 111.1 H(80) C(32) H(82) 103.7H(81) C(32) H(82) 109.8

Sup 58Table S30. Torsion Angles(°)

atom atom atom atom angle atom atom atom atom angleSi(1) Si(11) Si(6) O(2) 6.9(1) Si(1) Si(11) Si(6) C(17) 122.30(9)Si(1) Si(11) Si(6) C(20) -114.63(10) Si(1) C(1) Si(2) C(5) 173.3(2)Si(1) C(1) Si(2) C(6) 51.1(2) Si(1) C(1) Si(2) C(7) -69.1(2)Si(1) C(1) Si(3) C(8) 33.6(3) Si(1) C(1) Si(3) C(9) -85.0(2)Si(1) C(1) Si(3) C(10) 152.6(2) Si(1) C(1) C(2) C(3) -40.4(2)Si(1) C(4) Si(4) C(11) -29.4(2) Si(1) C(4) Si(4) C(12) 92.5(2)Si(1) C(4) Si(4) C(13) -147.0(2) Si(1) C(4) Si(5) C(14) 63.0(2)Si(1) C(4) Si(5) C(15) 177.4(1) Si(1) C(4) Si(5) C(16) -60.5(2)Si(1) C(4) C(3) C(2) -27.3(2) Si(2) C(1) Si(1) Si(11) -93.7(1)Si(2) C(1) Si(1) O(1) 23.5(2) Si(2) C(1) Si(1) C(4) 135.8(1)Si(2) C(1) Si(3) C(8) 161.6(2) Si(2) C(1) Si(3) C(9) 43.0(2)Si(2) C(1) Si(3) C(10) -79.4(2) Si(2) C(1) C(2) C(3) -157.4(2)Si(3) C(1) Si(1) Si(11) 33.1(2) Si(3) C(1) Si(1) O(1) 150.2(2)Si(3) C(1) Si(1) C(4) -97.4(2) Si(3) C(1) Si(2) C(5) 42.1(2)Si(3) C(1) Si(2) C(6) -80.1(2) Si(3) C(1) Si(2) C(7) 159.7(2)Si(3) C(1) C(2) C(3) 83.4(2) Si(4) C(4) Si(1) Si(11) -14.8(2)Si(4) C(4) Si(1) O(1) -126.2(1) Si(4) C(4) Si(1) C(1) 120.4(2)Si(4) C(4) Si(5) C(14) -162.2(2) Si(4) C(4) Si(5) C(15) -47.8(2)Si(4) C(4) Si(5) C(16) 74.3(2) Si(4) C(4) C(3) C(2) -156.0(2)Si(5) C(4) Si(1) Si(11) 112.13(10) Si(5) C(4) Si(1) O(1) 0.7(1)Si(5) C(4) Si(1) C(1) -112.6(1) Si(5) C(4) Si(4) C(11) -157.4(2)Si(5) C(4) Si(4) C(12) -35.5(2) Si(5) C(4) Si(4) C(13) 85.1(2)Si(5) C(4) C(3) C(2) 88.5(2) Si(6) Si(11) Si(1) O(1) -17.1(1)Si(6) Si(11) Si(1) C(1) 104.1(1) Si(6) Si(11) Si(1) C(4) -132.86(10)Si(6) C(17) Si(7) C(21) 156.5(2) Si(6) C(17) Si(7) C(22) -84.1(2)Si(6) C(17) Si(7) C(23) 42.2(2) Si(6) C(17) Si(8) C(24) 58.6(2)Si(6) C(17) Si(8) C(25) 179.8(2) Si(6) C(17) Si(8) C(26) -63.2(2)Si(6) C(17) C(18) C(19) 29.8(3) Si(6) C(20) Si(9) C(27) 59.7(2)Si(6) C(20) Si(9) C(28) -177.2(1) Si(6) C(20) Si(9) C(29) -61.4(2)Si(6) C(20) Si(10) C(30) -97.5(2) Si(6) C(20) Si(10) C(31) 142.8(2)Si(6) C(20) Si(10) C(32) 24.7(2) Si(6) C(20) C(19) C(18) 33.5(2)Si(7) C(17) Si(6) Si(11) 11.9(2) Si(7) C(17) Si(6) O(2) 118.3(2)Si(7) C(17) Si(6) C(20) -124.6(2) Si(7) C(17) Si(8) C(24) -74.5(2)Si(7) C(17) Si(8) C(25) 46.7(3) Si(7) C(17) Si(8) C(26) 163.7(2)Si(7) C(17) C(18) C(19) 155.0(2) Si(8) C(17) Si(6) Si(11) -116.1(2)Si(8) C(17) Si(6) O(2) -9.6(2) Si(8) C(17) Si(6) C(20) 107.4(2)Si(8) C(17) Si(7) C(21) -74.4(2) Si(8) C(17) Si(7) C(22) 45.1(2)Si(8) C(17) Si(7) C(23) 171.4(2) Si(8) C(17) C(18) C(19) -88.1(2)Si(9) C(20) Si(6) Si(11) -27.1(2) Si(9) C(20) Si(6) O(2) -141.2(1)Si(9) C(20) Si(6) C(17) 102.6(1) Si(9) C(20) Si(10) C(30) 36.6(2)Si(9) C(20) Si(10) C(31) -83.1(2) Si(9) C(20) Si(10) C(32) 158.8(2)Si(9) C(20) C(19) C(18) -89.1(2) Si(10) C(20) Si(6) Si(11) 102.7(1)Si(10) C(20) Si(6) O(2) -11.5(2) Si(10) C(20) Si(6) C(17) -127.6(1)Si(10) C(20) Si(9) C(27) -74.9(2) Si(10) C(20) Si(9) C(28) 48.2(2)Si(10) C(20) Si(9) C(29) 164.0(2) Si(10) C(20) C(19) C(18) 156.6(2)Si(11) Si(1) C(1) C(2) 151.2(1) Si(11) Si(1) C(4) C(3) -132.5(1)Si(11) Si(6) C(17) C(18) 128.0(2) Si(11) Si(6) C(20) C(19) -142.9(1)O(1) Si(1) C(1) C(2) -91.7(2) O(1) Si(1) C(4) C(3) 116.1(2)O(2) Si(6) C(17) C(18) -125.5(2) O(2) Si(6) C(20) C(19) 103.0(2)C(1) Si(1) C(4) C(3) 2.7(2) C(1) C(2) C(3) C(4) 47.7(3)C(2) C(1) Si(1) C(4) 20.7(2) C(2) C(1) Si(2) C(5) -77.5(2)C(2) C(1) Si(2) C(6) 160.3(2) C(2) C(1) Si(2) C(7) 40.1(2)C(2) C(1) Si(3) C(8) -79.1(2) C(2) C(1) Si(3) C(9) 162.3(2)C(2) C(1) Si(3) C(10) 40.0(3) C(3) C(4) Si(4) C(11) 85.9(2)C(3) C(4) Si(4) C(12) -152.2(2) C(3) C(4) Si(4) C(13) -31.6(2)C(3) C(4) Si(5) C(14) -47.4(3) C(3) C(4) Si(5) C(15) 67.0(3)

Sup 59Table S30. Torsion Angles(°)

atom atom atom atom angle atom atom atom atom angleC(3) C(4) Si(5) C(16) -170.9(2) C(17) Si(6) C(20) C(19) -13.1(2)C(17) C(18) C(19) C(20) -44.5(3) C(18) C(17) Si(6) C(20) -8.5(2)C(18) C(17) Si(7) C(21) 42.4(2) C(18) C(17) Si(7) C(22) 161.9(2)C(18) C(17) Si(7) C(23) -71.8(2) C(18) C(17) Si(8) C(24) 170.5(2)C(18) C(17) Si(8) C(25) -68.4(3) C(18) C(17) Si(8) C(26) 48.6(2)C(19) C(20) Si(9) C(27) 171.7(3) C(19) C(20) Si(9) C(28) -65.3(3)C(19) C(20) Si(9) C(29) 50.5(3) C(19) C(20) Si(10) C(30) 151.0(2)C(19) C(20) Si(10) C(31) 31.3(2) C(19) C(20) Si(10) C(32) -86.8(2)

Sup 60

Figure S8. ORTEP drawing of 1,3-dihydroxytrisilane 5 with numbering scheme. Thermal ellipsoids were drawnat the 30% probability level. Hydrogen atoms are omitted for clarity.

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