Information card for entry 4336826

Structure parameters

• Formula: C9 H91 K0.9 O117 P2 Rb9.1 Re3 W17
• Calculated formula: C9 K O85 P2 Rb9 Re3 W17
• Title of publication: An Inorganic Chromophore Based on a Molecular Oxide Supported Metal Carbonyl Cluster: [P2W17O61{Re(CO)3}3{ORb(H2O)}(μ3-OH)]9-
• Authors of publication: Chongchao Zhao; William Rodríguez-Córdoba; Alexey L. Kaledin; Ye Yang; Yurii V. Geletii; Tianquan Lian; Djamaladdin G. Musaev; Craig L. Hill
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13490 - 13495
• a: 13.1263 ± 0.001 Å
• b: 14.36 ± 0.001 Å
• c: 22.6164 ± 0.0016 Å
• α: 79.722 ± 0.001°
• β: 83.873 ± 0.001°
• γ: 77.624 ± 0.001°
• Cell volume: 4086.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No