Information card for entry 4327319

Structure parameters

• Formula: C27 H15 Ir3 O10 Ru2 W
• Calculated formula: C27 H15 Ir3 O10 Ru2 W
• SMILES: [Ir]12345([Ir]6789([Ir]%10%111([Ru]1%12%13%14(C%10=O)(C#[O])([C]59%11=[C]48[W]4589%10%1126([Ru]26%15%1637(C4=O)(C5=O)[cH]3[cH]2[cH]6[cH]%15[cH]%163)[cH]2[cH]%11[cH]%10[cH]9[cH]82)[cH]2[cH]%14[cH]%13[cH]%12[cH]12)(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: Mixed-Metal Cluster Chemistry. 28. Core Enlargement of Tungsten-Iridium Clusters with Alkynyl, Ethyndiyl, and Butadiyndiyl Reagents
• Authors of publication: Gulliver T. Dalton; Lydie Viau; Susan M. Waterman; Mark G. Humphrey; Michael I. Bruce; Paul J. Low; Rachel L. Roberts; Anthony C. Willis; George A. Koutsantonis; Brian W. Skelton; Allan H. White
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3261 - 3269
• a: 14.919 ± 0.001 Å
• b: 11.864 ± 0.001 Å
• c: 16.223 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2871.5 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections: 1.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No