Information card for entry 4327317

Structure parameters

• Formula: C33 H25 Ir3 O10 W2
• Calculated formula: C33 H25 Ir3 O10 W2
• SMILES: [Ir]123([Ir]456([Ir]7([W]89%10%11%12%1325([W]25%14%1514([C]68=[C]79c1ccccc1)(C3=O)(C#[O])[c]1([c]2([c]5([c]%14([c]%151C)C)C)C)C)(C#[O])[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)(C#[O])(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: 9.5204 ± 0.0001 Å
• b: 10.8559 ± 0.0001 Å
• c: 17.9731 ± 0.0003 Å
• α: 95.2323 ± 0.0006°
• β: 99.5846 ± 0.0006°
• γ: 100.587 ± 0.0005°
• Cell volume: 1786.18 ± 0.04 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for all reflections included in the refinement: 0.035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0503
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No