panjang ikatanBond DistancesX1Y1Z1X2Y2Z2X2-X1Y2-Y1Z2-Z1abc(X2-X1)2a2(Y2-Y1)2b2(Z2-Z1)2c2bcacabcos cos cos r2rNi(1)-O(1)0.112980.2381010.284010.02520.182970.38683-0.08778-0.0551310.102829.497819.525411.60270.69508384271.15875499541.4232242191226.54735858110.20012406185.448344120-0.067893403.41211872461.847192119Ni(1)-N(1)0.112980.2381010.284010.04990.321710.34168-0.063080.0836090.057679.497819.525411.60270.3589462412.66505353550.447731891226.54735858110.20012406185.448344120-0.067893403.52616704931.8778091089O(1)-C(11)0.02520.182970.38683-0.07120.202630.4519-0.09640.019660.065079.497819.525411.60270.83830123920.14735568860.5700064105226.54735858110.20012406185.448344120-0.067893401.6495269971.2843391285N(1)-C(13)0.04990.321710.34168-0.06490.32640.4028-0.11480.004690.061129.497819.525411.60271.18885753990.00838582060.5029036847226.54735858110.20012406185.448344120-0.067893401.80514113931.3435554098N(2)-C(20)0.23150.289410.197940.22870.360680.2255-0.00280.071270.027569.497819.525411.60270.00070723231.93648169870.1022531164226.54735858110.20012406185.448344120-0.067893402.04059676791.428494581C(10)-C(11)-0.12770.148090.5241-0.07120.202630.45190.05650.05454-0.07229.497819.525411.60270.28796714191.13404463030.7017663207226.54735858110.20012406185.448344120-0.067893402.18481960491.4781135291C(12)-C(13)-0.12220.269150.4558-0.06490.32640.40280.05730.05725-0.0539.497819.525411.60270.29617969691.24954200860.3781550162226.54735858110.20012406185.448344120-0.067893401.96932004971.4033246416C(24)-F(1)0.44380.11214-0.01950.543010.09481-0.095150.09921-0.01733-0.075659.497819.525411.60270.8878854510.11449776380.7704349772226.54735858110.20012406185.448344120-0.067893401.88512446611.3729983489Fe(1)-C(Cp)avg-0.098960.1420610.700270.09896-0.142061-0.700279.497819.525411.60270.8834163117.693954509366.0159943468226.54735858110.20012406185.448344120-0.0678934075.63033195098.6965701257Ni(1)-O(2)0.112980.2381010.284010.14540.156440.208910.03242-0.081661-0.07519.497819.525411.60270.0948139112.54231445680.7592730769226.54735858110.20012406185.448344120-0.067893403.43283424771.8527909347Ni(1)-N(2)0.112980.2381010.284010.23150.289410.197940.118520.051309-0.086079.497819.525411.60271.26715378741.00366084150.9972906157226.54735858110.20012406185.448344120-0.067893403.42075042031.8495270802O(2)-C(27)0.14540.156440.208910.23960.145470.13430.0942-0.01097-0.074619.497819.525411.60270.80047513480.04587891460.7493974422226.54735858110.20012406185.448344120-0.067893401.70092045181.3041934104N(1)-C(15)0.04990.321710.341680.12940.377970.01930.07950.05626-0.322389.497819.525411.60270.57013840661.206700061813.9911788554226.54735858110.20012406185.448344120-0.0678934016.15152570284.0188960801N(2)-C(21)0.23150.289410.197940.32430.265060.13080.0928-0.02435-0.067149.497819.525411.60270.77685862680.22604651220.6068492232226.54735858110.20012406185.448344120-0.067893401.702987211.304985521C(11)-C(12)-0.07120.202630.4519-0.12220.269150.4558-0.0510.066520.00399.497819.525411.60270.23463154081.68695835060.0020476105226.54735858110.20012406185.448344120-0.067893401.92661378621.3880251389C(15)-C(20)0.12940.377970.01930.22870.360680.22550.0993-0.017290.20629.497819.525411.60270.88949710170.11396982095.7239449514226.54735858110.20012406185.448344120-0.067893406.42101978582.5339731225C(26)-F(2)0.25330.079140.08710.161570.030580.11969-0.09173-0.048560.032599.497819.525411.60270.75904727830.89899491540.1429838041226.54735858110.20012406185.448344120-0.067893401.84575975671.3585874122Fe(1)-C(Cp')avg-0.098960.1420610.700270.09896-0.142061-0.700279.497819.525411.60270.8834163117.693954509366.0159943468226.54735858110.20012406185.448344120-0.0678934075.63033195098.6965701257

sudut ikatanX1Y1Z1X2Y2Z2X3Y3Z3X2-X1Y2-Y1Z2-Z1X2-X3Y2-Y3Z2-Z3X1-X3Y1-Y3Z1-Z3abc(X2-X1)2a2(Y2-Y1)2b2(Z2-Z1)2c2(X2-X3)2a2(Y2-Y3)2b2(Z2-Z3)2c2(X1-X3)2a2(Y1-Y3)2b2(Z1-Z3)2c2bc cos ac cos ab cos (r12)2r12(r23)2r23(r13)2r13cos O(1)-Ni(1)-O(2)0.02520.182970.386830.112980.2381010.284010.14540.156440.208910.087780.055131-0.10282-0.032420.0816610.0751-0.12020.026530.177929.497819.525411.60270.69508384271.15875499541.42322421910.0948139112.54231445680.75927307691.30333175190.26833318114.26155076530-7.481861106103.41211872461.8471921193.43283424771.85279093476.15322962212.48057042270.10105643184.1999922911

Sheet3