Information card for entry 4327687

Structure parameters

• Formula: C70 H112 Mo6 O76 S10 Se8 Sn
• Calculated formula: C70 H70 Mo6 O75.978 S10 Se8 Sn
• Title of publication: Preparation, Structure, and Reactivity of Heterometallic Sn-Containing Single- and Double-Cube Derivatives of [Mo3Se4(H2O)9]4+ and [W3Se4(H2O)9]4+
• Authors of publication: Rita Hernandez-Molina; Danil N. Dybtsev; Vladimir P. Fedin; Mark R. J. Elsegood; William Clegg; A. Geoffrey Sykes
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 2995 - 3001
• a: 12.1069 ± 0.0007 Å
• b: 17.9192 ± 0.001 Å
• c: 18.3662 ± 0.001 Å
• α: 63.032 ± 0.002°
• β: 76.024 ± 0.002°
• γ: 86.799 ± 0.002°
• Cell volume: 3439.4 ± 0.3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No