Information card for entry 4320556

Structure parameters

• Formula: C56 H148 Ge Mo6 O70 S16
• Calculated formula: C56 H56 Ge Mo6 O70 S16
• Title of publication: Preparation, Structure, and Reactivity of Ge-Containing Heterometallic Cube Derivatives of [M3E4(H2O)9]4+ (M = Mo, W; E = S, Se)
• Authors of publication: Mi-Sook Seo; Vladimir P. Fedin; Maxim N. Sokolov; Rita Hernandez-Molina; Achim Sokolowski; Mark R. J. Elsegood; William Clegg; A. Geoffrey Sykes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6115 - 6122
• a: 13.5499 ± 0.001 Å
• b: 14.0334 ± 0.001 Å
• c: 18.4296 ± 0.0013 Å
• α: 92.984 ± 0.002°
• β: 104.68 ± 0.002°
• γ: 118.056 ± 0.002°
• Cell volume: 2930.8 ± 0.4 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.0752
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No