Information card for entry 7009725

Structure parameters

• Formula: C63 H36 Au Ir6 O21 P2 Ru3
• Calculated formula: C63 Au Ir6 O21 P2 Ru3
• SMILES: [Au][P](c1ccccc1)(c1ccccc1)c1ccccc1.[Ir]12([Ir]3([Ir]4([Ir]56([Ir]1([Ir]35([Ru]2(C#[O])(C#[O])C#[O])(C#[O])C#[O])([Ru]46(C#[O])(C#[O])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].[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 16.819 ± 0.009 Å
• b: 17.188 ± 0.004 Å
• c: 16.321 ± 0.003 Å
• α: 110.74 ± 0.02°
• β: 112.47 ± 0.03°
• γ: 64.29 ± 0.04°
• Cell volume: 3827 ± 3 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: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 0.615
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No