Information card for entry 7009304

Structure parameters

• Formula: C70 H53 Ir4 N O9 P4
• Calculated formula: C70 H53 Ir4 N O9 P4
• SMILES: [Ir]12([Ir]3456([Ir]71([Ir]23(C#[O])(C5=O)C7=O)(C#[O])(C4=O)[P](C[P]6(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#[O])(C#[O])(C#[O])C#[O].P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Bis(diphosphino)methanide and hydride derivatives of Ir4(CO)12
• Authors of publication: Detti, Serena; Lumini, Tito; Roulet, Raymond; Schenk, Kurt; Ros, Renzo; Tassan, Augusto
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 10
• Pages of publication: 1645
• a: 10.2149 ± 0.0008 Å
• b: 18.4724 ± 0.0013 Å
• c: 33.772 ± 0.003 Å
• α: 90°
• β: 94.578 ± 0.009°
• γ: 90°
• Cell volume: 6352.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.0691
• Goodness-of-fit parameter for all reflections: 2.556
• Goodness-of-fit parameter for significantly intense reflections: 2.627
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No