Formula Unicode styled:
trans–[Ir₂(Cl)₂(CO)₂(μ₂-Dmpm)₂(MeO₂C)C≡C(CO₂Me)]
Compound name(s):
(μ₂-dimethyl-acetylenedicarboxylate)-bis(bis(diphenylphosphino)-methane-P,P')-dicarbonyl-dichloro-di-iridium(Ir—Ir)
Central atom:
Charge on formula unit (QN):
0
Attached groups:
Compound type:
Notes:
"The acetylene molecule is bound parallel to the metal-metal axis in a cis-dimetalated olefin geometry. Consistent with this, the geometries of the metalated carbons are reminiscent of sp² hybridization and the C-(5)-C(6) distance (1.344(8) Å) is close to that of a normal carbon-carbon double bond."
DOI link to literature report:
Crystal data CSD link:
Crystal data ICSD link:
Valence Number (VN) = 𝘹 + 2𝘻 :
Coordination Number (CN, sum of attached group denticities):
Oxidation Number (ON) (Roman numerals):
Electron Number (EN) = 𝘮 + 𝘹 +2𝘭:
Bond number (BN) = 𝘹 + 𝘭 + 𝘻:
6
[MLXZ]𝘲 class:
[MX3L3]
MLXZ class (ENC, equivalent neutral class):
MX3L3
Summary of calculated classifications:
Ir«V3C5.5OIIE18B6Z0X3L3»
Geometry:
Isomer label:
𝘥-electron configuration = 𝘮 – VN:
d6
𝘥-electron configuration = 𝘮 – ON:
d7
𝘥-electron configuration = 𝘮 – VN – 𝘲 from [MLXZ]𝘲:
d6
Attached atoms:
Phase:
InChIKey (see www.inchi-trust.org):
BJGZIMUALIEFMT-AJJXNUMUNA-L