Information card for entry 4312567

Structure parameters

• Formula: C15 H33 Mo N3 O S4
• Calculated formula: C15 H33 Mo N3 O S4
• SMILES: [Mo]123(SSSS1)(=O)[N]1(C[N]2(C[N]3(C1)C(C)(C)C)C(C)(C)C)C(C)(C)C
• 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: 10.36 ± 0.002 Å
• b: 9.4975 ± 0.0019 Å
• c: 22.348 ± 0.005 Å
• α: 90°
• β: 90.84 ± 0.03°
• γ: 90°
• Cell volume: 2198.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0987
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.1714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No