Accuracy

cis-pt(1,1-cbda)(nh3)2   7677 Cis-Pt(1,1-cbda)(NH3)2

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    #  Species Formula
  7667 Pt(II)(NH3)6H18N6Pt
  7668 Pt(II)(NH3)6 (Geo)H18N6Pt
  7669 Pt(II)N4(2+) (ACMPTC) (Geo)C4H22N6Pt
  7670 Pt(II)N4(2+) (ACMPTC)C4H22N6Pt
  7671 Pt(CO)4 (Geo)C4O4Pt
  7672 Pt(NH3)2(malonate) (Geo)C3H8N2O4Pt
  7673 Pt(II)N2O2 (CAGDUJ) (Geo)C5H6N2O4Pt
  7674 Pt(II)N2O2 (CAGDUJ)C5H6N2O4Pt
  7675 Pt(CH2(COO)2)(NH2C2H4NH2)C5H10N2O4Pt
  7676 Pt((COO)2CHEt)(NH3)2C5H12N2O4Pt
  7677 Cis-Pt(1,1-cbda)(NH3)2 C6H12N2O4Pt
  7678 Pt(IV)N2O2C2 (BAVHIP) (Geo)C6H14N2O4Pt
  7679 Pt(IV)N2O2C2 (BAVHIP)C6H14N2O4Pt
  7680 Cis-Pt(1,1-cbda)(NH2Me)2 (34)C8H16N2O4Pt
  7681 Cis-Pt(1,2-cbda)(NH2Me)2C8H16N2O4Pt
  7682 Cis-Pt(1,1-cbda)(NH2Et)2C10H20N2O4Pt
  7683 Cis-Pt(1,1-cbda)(NH2-i-Pr)2C12H24N2O4Pt
  7684 Pt((COO)2CH(OH))(NH3)2C3H8N2O5Pt
  7685 Pt(II)(H2O)6H12O6Pt
  7686 Pt(II)(H2O)6 (Geo)H12O6Pt
  7687 Pt(IV)O4N2 (BIPWIG) (Geo)C3H10N2O6Pt


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