Information card for entry 4062057

Structure parameters

• Formula: C38 H30 Cl Ir O9 P2
• Calculated formula: C38 H30 Cl Ir O9 P2
• SMILES: [IrH]12([P](c4c(C2=[OH+])cccc4)(c2ccccc2)c2ccccc2)(C(=O)c2c([P]1(c1ccccc1)c1ccccc1)cccc2)OCl(=O)(=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: 9.5945 ± 0.0006 Å
• b: 23.0849 ± 0.0014 Å
• c: 18.915 ± 0.0012 Å
• α: 90°
• β: 96.13 ± 0.001°
• γ: 90°
• Cell volume: 4165.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No