Information card for entry 4312562

Structure parameters

• Formula: C16 H34.5 Mo N3.5 S3
• Calculated formula: C16 H36.675 Mo N3.5 S3
• Title of publication: Nucleophilic Reactivity and Oxo/Sulfido Substitution Reactions of MVIO3 Groups (M = Mo, W)
• Authors of publication: David V. Partyka; Richard J. Staples; R. H. Holm
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7877 - 7886
• a: 13.549 ± 0.002 Å
• b: 13.549 ± 0.002 Å
• c: 7.227 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1149 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 186
• Hermann-Mauguin space group symbol: P 63 m c
• Hall space group symbol: P 6c -2c
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No