Information card for entry 4312559

Structure parameters

• Formula: C25 H54 F3 Mo N3 O6 S Si
• Calculated formula: C25 H54 F3 Mo N3 O6 S Si
• SMILES: [Mo]12([N]3(C[N]1(C(C)(C)C)C[N]2(C3)C(C)(C)C)C(C)(C)C)(O[Si](C(C)C)(C(C)C)C(C)C)(=O)=O.S(=O)(=O)(C(F)(F)F)[O-]
• 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: 17.126 ± 0.003 Å
• b: 9.4382 ± 0.0019 Å
• c: 22.93 ± 0.005 Å
• α: 90°
• β: 111.91 ± 0.03°
• γ: 90°
• Cell volume: 3438.7 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No