Information card for entry 4327688

Structure parameters

• Formula: C21 H49 Cl3 Mo3 N15 O0.5 S9 Se4 Sn
• Calculated formula: C21 H48 Cl3 Mo3 N15 O0.5 S9 Se4 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: 42.602 ± 0.002 Å
• b: 11.9783 ± 0.0006 Å
• c: 21.7785 ± 0.0012 Å
• α: 90°
• β: 95.028 ± 0.002°
• γ: 90°
• Cell volume: 11070.8 ± 1 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No