Information card for entry 4062058

Structure parameters

• Formula: C43 H37 Cl Ir N O7 P2
• Calculated formula: C43 H37 Cl Ir N O7 P2
• SMILES: [IrH]12(C(=[OH+])c3c([P]2(c2ccccc2)c2ccccc2)cccc3)(C(=O)c2c([P]1(c1ccccc1)c1ccccc1)cccc2)[n]1ccccc1.Cl(=O)(=O)(=O)[O-].O
• Title of publication: Synthesis and Characterization of Hydridoirida-β-diketones Formed by the Reaction of [{Ir(Cod)Cl}2] (Cod = 1,5-cyclooctadiene) with o-(Diphenylphosphino)benzaldehyde
• Authors of publication: Garralda, María A.; Hernández, Ricardo; Ibarlucea, Lourdes; Pinilla, Elena; Torres, M. Rosario
• Journal of publication: Organometallics
• Year of publication: 2003
• Journal volume: 22
• Journal issue: 17
• Pages of publication: 3600 - 3603
• a: 11.2711 ± 0.0008 Å
• b: 13.0553 ± 0.0009 Å
• c: 14.2463 ± 0.001 Å
• α: 81.179 ± 0.001°
• β: 89.476 ± 0.001°
• γ: 74.322 ± 0.001°
• Cell volume: 1993.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No