Information card for entry 4322843

Structure parameters

• Formula: C82 H52 Au2 Cl2 Ir O20 P3 Re6
• Calculated formula: C82 H52 Au2 Cl2 Ir O20 P3 Re6
• SMILES: [Ir]123456([Re]789%10%11([Re]%12%13%141([Re]1%15%162([Re]237([Re]8%121([Au]%10%13[P](c1ccccc1)(c1ccccc1)c1ccccc1)([C]6%11%14%162)(C#[O])(C#[O])C#[O])([Re]4%15(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])([Au]59[P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])C#[O].[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Synthesis of a Heptanuclear Rhenium-Iridium Carbido Carbonyl Cluster and of (Triphenylphosphine)gold(I) Derivatives
• Authors of publication: Linqing Ma; Udo Brand; John R. Shapley
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 3060 - 3065
• a: 13.1182 ± 0.0001 Å
• b: 15.1806 ± 0.0001 Å
• c: 23.4061 ± 0.0003 Å
• α: 74.251 ± 0.001°
• β: 82.058 ± 0.001°
• γ: 70.306 ± 0.001°
• Cell volume: 4218.13 ± 0.08 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections: 0.1387
• Weighted residual factors for significantly intense reflections: 0.1114
• Goodness-of-fit parameter for all reflections: 1.014
• Goodness-of-fit parameter for significantly intense reflections: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No