Information card for entry 4320005

Structure parameters

• Formula: C60 H100 Mo4 N4 O3 S13
• Calculated formula: C60 H100 Mo4 N4 O3 S13
• Title of publication: Addition of Diphenylacetylene to [Mo(O~2~)(S~2~)]^2-^ in NH~3~-CH~3~OH Medium
• Authors of publication: Rémi Dessapt; Corine Simonnet-Jégat; Jérôme Marrot; Francis Sécheresse
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4072 - 4074
• a: 10.7075 ± 0.0002 Å
• b: 15.1073 ± 0.0004 Å
• c: 23.9746 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3878.17 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1835
• Residual factor for significantly intense reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No