Accuracy
cis-pt(1,1-cbda)(nh3)2
7677 Cis-Pt(1,1-cbda)(NH3)2
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Geometry predicted using PM7
ΔHf: -159.7 kcal/mol, REF: D. Takhin, G. Pilcher, J. Bickerton, and A. Zaki, J. Chem. Soc., Dalton Trans., 371 (1984).
SHIFT=80 PULAY PM7
Cis-Pt(1,1-cbda)(NH3)2
H=-159.7 HR=TPBZ84
Pt 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
O 2.01903276 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 2.01927689 +1 104.0618805 +1 0.0000000 +0 1 2 0
N 2.04328636 +1 75.2858175 +1 -179.1921485 +1 1 2 3
N 2.04336663 +1 75.2641336 +1 179.1434684 +1 1 3 2
H 1.02587727 +1 108.3910544 +1 4.4848594 +1 4 1 2
H 1.00809739 +1 113.1423290 +1 122.4837445 +1 4 1 2
H 1.00793910 +1 113.2067037 +1 -113.8143703 +1 4 1 2
H 1.02578814 +1 108.4049366 +1 -6.4156353 +1 5 1 3
H 1.00816243 +1 112.9585276 +1 111.7623562 +1 5 1 3
H 1.00780686 +1 113.3131750 +1 -124.5771220 +1 5 1 3
C 1.32638109 +1 114.2838541 +1 13.5345998 +1 2 1 3
C 1.32708209 +1 113.7287865 +1 -14.4720156 +1 3 1 2
O 1.20778039 +1 119.5470393 +1 146.8716210 +1 12 2 1
O 1.20760189 +1 119.6493413 +1 -144.9580286 +1 13 3 1
C 1.52021957 +1 117.2734558 +1 -38.1104958 +1 12 2 1
C 1.56149241 +1 101.2997874 +1 90.9368792 +1 16 11 2
C 1.55944460 +1 159.0107639 +1 -150.4358554 +1 16 11 2
C 1.54916334 +1 90.4012159 +1 -0.0578433 +1 17 16 18
H 1.09379051 +1 113.9886028 +1 117.6713526 +1 17 16 18
H 1.09385000 +1 113.9666630 +1 -117.7948530 +1 17 16 18
H 1.09657370 +1 114.1045492 +1 117.8207257 +1 18 16 17
H 1.09668898 +1 114.0996282 +1 -117.6768450 +1 18 16 17
H 1.09239292 +1 114.5482182 +1 117.0819337 +1 19 17 16
H 1.09242902 +1 114.5319083 +1 -116.9448086 +1 19 17 16