Information card for entry 4327320

Structure parameters

• Formula: C34 H20 Ir2 O10 Ru2 W2
• Calculated formula: C34 H20 Ir2 O10 Ru2 W2
• SMILES: [Ir]1234([Ir]5([W]6789%10%11%122([W]2%13%14%15%16%171([Ru]1%18%19%2036(C2=O)([cH]2[cH]1[cH]%18[cH]%19[cH]%202)C%13=O)([C]47=[C]58C#C[Ru]1234(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45)[cH]1[cH]%14[cH]%15[cH]%16[cH]%171)(C#[O])[cH]1[cH]9[cH]%10[cH]%11[cH]%121)(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: 10.119 ± 0.0001 Å
• b: 15.0991 ± 0.0001 Å
• c: 22.4328 ± 0.0002 Å
• α: 90°
• β: 101.776 ± 0.0005°
• γ: 90°
• Cell volume: 3355.32 ± 0.05 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for all reflections included in the refinement: 0.0231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0609
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No