Information card for entry 7009723

Structure parameters

• Formula: C65 H42 Ir7 N O23 P2 Ru3
• Calculated formula: C65 Ir7 N O23 P2 Ru3
• SMILES: [Ir]([Ru]([Ir]12([Ir]3([Ir]45([Ir]([Ir]134(C#[O])C#[O])([Ir]5(C#[O])C#[O])([Ru]2(C#[O])(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O])([Ru](C#[O])(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])C#[O].P(=N[P+](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)(c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Synthesis and characterization of high-nuclearity iridium‒ruthenium and ‒gold mixed-metal carbonyl clusters, [Ir7Ru3(CO)23]−, [Ir7Ru3(CO)23(AuPPh3)] and [Ir6Ru3(CO)21(AuPPh3)]−, possessing tetrahedrally capped octahedral iridium cores obtained by capping reactions with [Ru3(CO)12] and [AuCl(PPh3)]
• Authors of publication: Chihara, Teiji; Sato, Mayumi; Konomoto, Hiromi; Kamiguchi, Satoshi; Ogawa, Haruo; Wakatsuki, Yasuo
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 14
• Pages of publication: 2295
• a: 15.898 ± 0.002 Å
• b: 22.118 ± 0.002 Å
• c: 11.95 ± 0.001 Å
• α: 94.89 ± 0.02°
• β: 96.11 ± 0.01°
• γ: 105.5 ± 0.02°
• Cell volume: 3997.7 ± 0.8 ų
• Cell temperature: 294.2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections included in the refinement: 0.0482
• Goodness-of-fit parameter for all reflections included in the refinement: 0.452
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No