Information card for entry 4314300

Structure parameters

• Formula: C36 H81 Cl O4 Si3 W
• Calculated formula: C36 H81 Cl O4 Si3 W
• SMILES: [W](Cl)(O[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(O[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(O[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)=O
• Title of publication: Symmetry and Geometry Considerations of Atom Transfer: Deoxygenation of (silox)3WNO and R3PO (R = Me, Ph,tBu) by (silox)3M (M = V, NbL (L = PMe3, 4-Picoline), Ta; silox =tBu3SiO)
• Authors of publication: Adam S. Veige; LeGrande M. Slaughter; Emil B. Lobkovsky; Peter T. Wolczanski; Nikita Matsunaga; Stephen A. Decker; Thomas R. Cundari
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6204 - 6224
• a: 8.7021 ± 0.0001 Å
• b: 21.066 ± 0.0003 Å
• c: 12.5399 ± 0.0002 Å
• α: 90 ± 0.0006°
• β: 105.507 ± 0.0007°
• γ: 90 ± 0.001°
• Cell volume: 2215.11 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No