Accuracy

ircl4r   7616 Iridium(V) tetrachloride, cation (Geo)

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    #  Species Formula
  7606 Ir(C6F6)(C2H4)(Cp) (PADLOV) (Geo)C13H9F6Ir
  7607 Ir(III)S6 (EDTCIR) (Geo)C15H30N3S6Ir
  7608 Iridium(I) chloride (Geo)ClIr
  7609 Iridium(I) chlorideClIr
  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


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=1 PM7
Iridium(V) tetrachloride, cation
 <Ir-Cl> GR=PW91D
 Cl     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Ir     2.21575300 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.20743806 +1  110.2554217 +1    0.0000000 +0     2     1     0
 Cl     2.21359026 +1  107.8102027 +1  120.0063783 +1     2     1     3
 Cl     2.21017991 +1  109.3426411 +1  117.8959274 +1     2     1     4