Accuracy

pt((coo)2chet)(nh3)2   7676 Pt((COO)2CHEt)(NH3)2

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  7666 Pt(II)N4(2+) (APTCPT)H12N4Pt
  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)2 C5H12N2O4Pt
  7677 Cis-Pt(1,1-cbda)(NH3)2C6H12N2O4Pt
  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


ΔHf: -191.0 kcal/mol,     REF: D. Takhin, G. Pilcher, J. Bickerton, and A. Zaki, J. Chem. Soc., Dalton Trans., 371 (1984).
  
 PM7
Pt((COO)2CHEt)(NH3)2
 H=-191.0 HR=TPBZ84
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.01008931 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.00954273 +1  103.2200475 +1    0.0000000 +0     1     2     0
  N     2.04438818 +1   75.8729902 +1 -179.6342603 +1     1     2     3
  N     2.04440984 +1   75.8574649 +1  179.6773856 +1     1     3     2
  H     1.00847426 +1  113.1856405 +1  119.7670777 +1     4     1     2
  H     1.02581492 +1  108.2539008 +1   -3.7652449 +1     5     1     3
  H     1.00822092 +1  113.3593588 +1 -121.8403759 +1     5     1     3
  C     1.31951147 +1  116.1817796 +1   21.1039333 +1     2     1     3
  C     1.31871426 +1  116.8043752 +1  -19.7090830 +1     3     1     2
  O     1.21263335 +1  118.5030457 +1  152.6502231 +1     9     2     1
  O     1.21284207 +1  118.3759211 +1 -155.3950616 +1    10     3     1
  C     1.52742142 +1  122.4441138 +1   29.0924064 +1    10     3     1
  H     1.02578493 +1  108.2562419 +1    1.8247828 +1     4     1     2
  H     1.00801169 +1  113.3578817 +1 -116.4189181 +1     4     1     2
  H     1.00823275 +1  113.1965631 +1  114.3477810 +1     5     1     3
  H     1.13461512 +1  104.2500513 +1 -157.9578588 +1    13    10     3
  C     1.54248359 +1  107.8426162 +1   88.4226657 +1    13    10     3
  H     1.11002828 +1  108.9870158 +1   53.4962133 +1    18    13    10
  C     1.52607785 +1  112.9906950 +1  -68.9773032 +1    18    13    10
  H     1.10980870 +1  109.0136374 +1  168.4856815 +1    18    13    10
  H     1.09339417 +1  111.4043267 +1  179.6367967 +1    20    18    13
  H     1.09874048 +1  111.3358449 +1   59.0373091 +1    20    18    13
  H     1.09868129 +1  111.3766827 +1  -59.7855108 +1    20    18    13