Information card for entry 4062055

Structure parameters

• Formula: C38 H30 Cl Ir O2 P2
• Calculated formula: C38 H30 Cl Ir O2 P2
• SMILES: [IrH]12(Cl)([P](c4c(C2=O)cccc4)(c2ccccc2)c2ccccc2)C(=[OH+])c2c([P]1(c1ccccc1)c1ccccc1)cccc2
• 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: 10.44 ± 0.003 Å
• b: 10.653 ± 0.003 Å
• c: 15.247 ± 0.005 Å
• α: 95.336 ± 0.006°
• β: 104.181 ± 0.006°
• γ: 104.852 ± 0.006°
• Cell volume: 1567 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• 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