Information card for entry 4327321

Structure parameters

• Formula: C38 H27 Cl2 Ir3 O13 W3
• Calculated formula: C38 H27 Cl2 Ir3 O13 W3
• 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: 10.3264 ± 0.0001 Å
• b: 13.5767 ± 0.0002 Å
• c: 15.6551 ± 0.0003 Å
• α: 103.9 ± 0.0008°
• β: 93.3532 ± 0.001°
• γ: 95.1018 ± 0.001°
• Cell volume: 2114.86 ± 0.06 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0363
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.039
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9797
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No