Information card for entry 4312563

Structure parameters

• Formula: C19 H42 F3 N3 O6 S Si W
• Calculated formula: C19 H42 F3 N3 O6 S Si W
• SMILES: [W]12(O[Si](C(C)C)(C(C)C)C(C)C)(=O)(=O)[N]3(CC[N]2(CC[N]1(C)CC3)C)C.S(=O)(=O)([O-])C(F)(F)F
• 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: 8.297 ± 0.0017 Å
• b: 30.09 ± 0.006 Å
• c: 11.006 ± 0.002 Å
• α: 90°
• β: 93.82 ± 0.03°
• γ: 90°
• Cell volume: 2741.6 ± 0.9 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 0.744
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No