Information card for entry 4327318

Structure parameters

• Formula: C44.5 H37 Cl2 Ir3 O8 W3
• Calculated formula: C44.5 H37 Cl2 Ir3 O8 W3
• SMILES: [Ir]12345([Ir]6789([Ir]%101([W]1%11%12%13%143([W]3%15%16%17%1847%10([C]58=[C]9([W]457826(C#[O])(C#[O])[c]2([c]8([c]7([c]5([c]42C)C)C)C)C)c2ccccc2)(C1=[CH]3c1ccccc1)[cH]1[cH]%18[cH]%17[cH]%16[cH]%151)(Cl)[cH]1[cH]%11[cH]%12[cH]%13[cH]%141)(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O].ClCCl
• 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: 12.6651 ± 0.0009 Å
• b: 16.12 ± 0.001 Å
• c: 22.176 ± 0.002 Å
• α: 85.326 ± 0.002°
• β: 76.885 ± 0.002°
• γ: 85.912 ± 0.002°
• Cell volume: 4388.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections: 1.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No