Accuracy

Pt(II)I2N2 (CUPCAR) r   7782 Pt(II)I2N2 (CUPCAR) (Geo)

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    #  Species Formula
  7772 Methyl platinum(II) iodideCH3IPt
  7773 Methyl platinum(II) iodide (Geo)CH3IPt
  7774 Pt(1,2-C2H4(SPh)2))BrI (Geo)C14H14S2BrIPt
  7775 cis-Pt(NH3)2I2 (Geo)H6N2I2Pt
  7776 Pt(II)I2N2 (DIPYPT) (Geo)C10H10N2I2Pt
  7777 Pt(II)I2N2 (DIPYPT)C10H10N2I2Pt
  7778 Pt(IV)N4I2(2+) (BEVMAQ) (Geo)C4H16N4I2Pt
  7779 Pt(IV)N4I2(2+) (BEVMAQ)C4H16N4I2Pt
  7780 Platinum(IV) oxide diiodideOI2Pt
  7781 Platinum(IV) oxide diiodide (Geo)OI2Pt
  7782 Pt(II)I2N2 (CUPCAR) (Geo) C6H6N2O2I2Pt
  7783 Pt(II)I2N2 (CUPCAR)C6H6N2O2I2Pt
  7784 Pt(IV)C2I2O2 (BIFCOI) (Geo)C8H12O2I4Pt
  7785 Pt(IV)C2I2O2 (BIFCOI)C8H12O2I4Pt
  7786 Platinum(I) hydride, dimerH2Pt2
  7787 Pt2(Cp)2(CO)2 (Geo)C12H10O2Pt2
  7788 Pt(II)2Br6(2-) (ETABPT) (Geo)Br6Pt2
  7789 Pt(II)2Br6(2-) (ETABPT)Br6Pt2
  7790 Platinum tetramerPt4
  7791 Platinum tetramer (Geo)Pt4
  7792 Pt6Pt6


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 UHF PULAY RELSCF=30 PM7
Pt(II)I2N2 (CUPCAR)
 <Pt-I> <><I-Pt-I> <Pt-N><><> <Pt-N> GR=CCDC
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  I     2.58294600 +1    0.0000000 +0    0.0000000 +0     1     0     0
  I     2.52119828 +1   91.4587830 +1    0.0000000 +0     1     2     0
  N     2.03791800 +1   97.0099905 +1  179.9420034 +1     1     2     3
  N     2.17364500 +1  172.9745536 +1    3.1703318 +1     1     2     4
  O     1.37113134 +1  132.1248372 +1   -1.1577410 +1     4     1     2
  O     1.36075303 +1  133.7597284 +1  179.4606988 +1     5     1     4
  C     1.36654841 +1  119.2088465 +1 -179.4935141 +1     4     1     6
  C     1.35824429 +1  115.2949105 +1 -179.0364656 +1     5     1     7
  C     1.42346421 +1  126.5541746 +1  179.5911601 +1     9     5     1
  C     1.37670898 +1  120.1581644 +1  179.7358808 +1    10     9     5
  C     1.41871999 +1  120.7641580 +1    0.0174712 +1    11    10     9
  C     1.37771846 +1  120.9242516 +1    0.0555394 +1    12    11    10
  H     1.00802520 +1  106.8069664 +1    0.9239859 +1     6     4     1
  H     1.01309502 +1  105.7865578 +1    2.0070729 +1     7     5     1
  H     1.09121343 +1  118.7927336 +1 -179.9582292 +1    10     9    11
  H     1.09040529 +1  120.4466211 +1 -179.9975511 +1    11    10    12
  H     1.09051398 +1  118.7672114 +1  179.9848491 +1    12    11    13
  H     1.09160782 +1  120.7473342 +1  179.9685771 +1    13    12    11