platinum edta

platinum edta 7690 Platinum EDTA

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

#	Species	Formula
7680	Cis-Pt(1,1-cbda)(NH2Me)2 (34)	C8H16N2O4Pt
7681	Cis-Pt(1,2-cbda)(NH2Me)2	C8H16N2O4Pt
7682	Cis-Pt(1,1-cbda)(NH2Et)2	C10H20N2O4Pt
7683	Cis-Pt(1,1-cbda)(NH2-i-Pr)2	C12H24N2O4Pt
7684	Pt((COO)2CH(OH))(NH3)2	C3H8N2O5Pt
7685	Pt(II)(H2O)6	H12O6Pt
7686	Pt(II)(H2O)6 (Geo)	H12O6Pt
7687	Pt(IV)O4N2 (BIPWIG) (Geo)	C3H10N2O6Pt
7688	Pt(IV)O4N2 (BIPWIG)	C3H10N2O6Pt
7689	Platinum EDTA (Geo)	C10H12N2O8Pt
7690	Platinum EDTA	C10H12N2O8Pt
7691	Methyl platinum(II) fluoride	CH3FPt
7692	Methyl platinum(II) fluoride (Geo)	CH3FPt
7693	Platinum F (Geo)	F2Pt
7694	Platinum(IV) oxide difluoride	OF2Pt
7695	Platinum(IV) oxide difluoride (Geo)	OF2Pt
7696	cis-Pt(PEt3)2(CH3)2	C14H36P2Pt
7697	cis-Pt(PEt3)2(2-Tol)2	C26H44P2Pt
7698	trans-Pt(PPh3)(C2H5)(benzoyl) (Geo)	C45H40OP2Pt
7699	Oxalato-bis(trimethylphosphine) platinum (Geo)	C8H18O4P2Pt
7700	Pt(PMe3)2F2 (cis) (Geo)	C6H18F2P2Pt

ΔH_f: -325.6 kcal/mol, REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.

  
 CHARGE=-2 PM7
Platinum EDTA
 H=-325.6 HR=PW91D
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.81845731 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.81841223 +1   60.2391595 +1    0.0000000 +0     1     2     0
  O     2.03594065 +1   69.9395802 +1  136.3008025 +1     1     2     3
  O     2.03765766 +1  117.8500154 +1  -94.4472212 +1     1     2     4
  O     2.03709602 +1   70.2523006 +1  176.9141152 +1     1     2     5
  C     1.46845296 +1  103.9025864 +1 -142.8245471 +1     3     1     2
  C     1.47660557 +1  120.6344234 +1  128.8861671 +1     3     1     7
  C     1.47750555 +1  120.8019612 +1  -13.1897109 +1     2     1     3
  C     1.56036702 +1  109.8215914 +1   14.2568682 +1     7     3     1
  O     1.23128489 +1  113.6755002 +1  161.0087349 +1    10     7     3
  C     1.28476936 +1  123.5283125 +1  -16.7660513 +1     5     1     2
  O     1.22778883 +1  122.6978026 +1  178.4618020 +1    12     5     1
  H     1.10765032 +1  113.9083138 +1  159.2764752 +1     8     3     1
  H     1.10759199 +1  113.8495323 +1  158.3754811 +1     9     2     1
  C     1.28065419 +1  127.9810457 +1   -6.0401393 +1     4     1     2
  O     1.23126854 +1  121.2650511 +1 -165.4498756 +1    16     4     1
  C     1.28453824 +1  123.6498274 +1   20.4535617 +1     6     1     2
  O     1.22777216 +1  122.6612666 +1  179.0382158 +1    18     6     1
  H     1.11050383 +1  107.9850771 +1  118.8715203 +1     8     3    14
  H     1.11024950 +1  108.1211197 +1  118.9286089 +1     9     2    15
  C     1.47239404 +1   91.8321869 +1  117.5221359 +1     2     1     9
  C     1.47249576 +1   91.5407187 +1  117.4719199 +1     3     1     8
  C     1.46884062 +1  103.8142231 +1  113.6729424 +1     2     1    22
  O     1.28059347 +1  124.9404649 +1  176.3752706 +1    10     7    11
  H     1.10339020 +1  114.6256435 +1  169.4388077 +1    22     2     1
  H     1.11426214 +1  108.2557385 +1  120.9519563 +1    22     2    26
  H     1.11443804 +1  108.1833978 +1  -68.9331984 +1    23     3     1
  H     1.10304264 +1  114.6719991 +1 -120.9311635 +1    23     3    28
  H     1.10424030 +1  113.4786525 +1  133.4029291 +1    24     2     1
  H     1.10934970 +1  113.3235689 +1  120.9494255 +1    24     2    30
  H     1.10410581 +1  113.5524858 +1  120.1964471 +1     7     3    10
  H     1.10920194 +1  113.3264431 +1  121.0597795 +1     7     3    32