Accuracy

Ir(IV)Cl4N2 (GIKBEH) r   7620 Ir(IV)Cl4N2 (GIKBEH) (Geo)

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    #  Species Formula
  7610 IrC8Cl (CBUTIR) (Geo)C8H12ClIr
  7611 Iridium(III) oxide chlorideOClIr
  7612 Iridium(III) oxide chloride (Geo)OClIr
  7613 Ir(III)N3Cl3 (YAPGOL) (Geo)C6H15N3Cl3Ir
  7614 fac-(1,4,7-Triazacyclononane-trichloro-iridium) (Geo)C6H15N3Cl3Ir
  7615 Iridium En Py Cl3 (Geo)C7H13N3Cl3Ir
  7616 Iridium(V) tetrachloride, cation (Geo)Cl4Ir
  7617 Iridium(V) tetrachloride, cationCl4Ir
  7618 Ir(III)Cl4N2(-) (IMIXUX) (Geo)C2H4N2Cl4Ir
  7619 Ir(III)Cl4N2(-) (IMIXOR) (Geo)C2H8N2Cl4Ir
  7620 Ir(IV)Cl4N2 (GIKBEH) (Geo) C12H8N2Cl4Ir
  7621 Ir(III)NOCl4(2-) (FURCEA) (Geo)C3H6NO2Cl4Ir
  7622 Ir(III)Cl4S2(-) (BOCLUA) (Geo)C4H12S2Cl4Ir
  7623 Ir(III)Cl5N(2-) (CLPZIR) (Geo)C4H4N2Cl5Ir
  7624 Ir(V)Cl6(-) (TEVFIJ) (Geo)Cl6Ir
  7625 Ir(III)Cl6 d6 (Geo)Cl6Ir
  7626 Iridium(III) hexachloride (Geo)Cl6Ir
  7627 Iridium(III) hexachlorideCl6Ir
  7628 Iridium(I) bromide (Geo)BrIr
  7629 Iridium(I) bromideBrIr
  7630 Iridium(III) oxide bromideOBrIr


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 UHF PM7
Ir(IV)Cl4N2 (GIKBEH)
 <Ir-N> <><N-Ir-N> <Ir-Cl> GR=CCDC
 Ir     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.04232100 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.06200240 +1   79.6284360 +1    0.0000000 +0     1     2     0
 Cl     2.29920800 +1   93.4318780 +1 -179.9771038 +1     1     2     3
 Cl     2.24346638 +1   85.0685001 +1   91.1009243 +1     1     2     4
  C     1.35501917 +1  128.8635770 +1  179.9367343 +1     2     1     3
  C     1.41273130 +1  122.6579432 +1 -179.7896614 +1     6     2     1
  C     1.37906657 +1  120.6709547 +1   -0.0744229 +1     7     6     2
  C     1.41291939 +1  118.7809350 +1    0.0536564 +1     8     7     6
  C     1.39365543 +1  115.2955545 +1 -179.8270393 +1     2     1     6
  C     1.39233280 +1  114.6914305 +1   -0.0973104 +1     3     1     2
  C     1.40376905 +1  124.7744665 +1 -179.8896297 +1    11     3     1
  C     1.41173022 +1  117.4963980 +1   -0.0367506 +1    12    11     3
  C     1.37883197 +1  118.6419532 +1    0.0078486 +1    13    12    11
  C     1.35282682 +1  129.7926703 +1 -179.9267429 +1     3     1    11
  C     1.43563300 +1  123.9307416 +1  179.9988541 +1     9     8     7
  C     1.36160913 +1  121.2394543 +1 -179.9436924 +1    16     9     8
  H     1.11193071 +1  118.0431747 +1  179.9765666 +1     6     2     7
  H     1.09270024 +1  118.4752671 +1 -179.9826628 +1     7     6     8
  H     1.09101148 +1  121.3677782 +1  179.9770770 +1     8     7     9
  H     1.08994376 +1  119.9350375 +1  179.9997812 +1    13    12    14
  H     1.09219539 +1  120.8019724 +1 -179.9917403 +1    14    13    12
  H     1.10767447 +1  118.0554603 +1   -0.0890401 +1    15     3     1
  H     1.09219034 +1  117.8216117 +1  179.9985816 +1    16     9    17
  H     1.09225887 +1  120.9261068 +1 -179.9970996 +1    17    16     9
 Cl     2.24366842 +1   84.9640787 +1  177.7221517 +1     1     2     5
 Cl     2.22448658 +1  173.4348045 +1  -87.6547635 +1     1     2    26