Information card for entry 4108391

Structure parameters

• Formula: C37 H81 O4 Si3 W
• Calculated formula: C37 H81 O4 Si3 W
• SMILES: [W](O[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C#[O])(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
• Title of publication: Low Coordinate, Monomeric Molybdenum and Tungsten(III) Complexes: Structure, Reactivity and Calculational Studies of (silox)3Mo and (silox)3ML (M = Mo, W; L = PMe3, CO; silox =tBu3SiO)
• Authors of publication: David S. Kuiper; Peter T. Wolczanski; Emil B. Lobkovsky; Thomas R. Cundari
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 12931 - 12943
• a: 8.684 ± 0.002 Å
• b: 21.091 ± 0.004 Å
• c: 24.354 ± 0.005 Å
• α: 90°
• β: 94.12 ± 0.03°
• γ: 90°
• Cell volume: 4449 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0477
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for all reflections: 0.0912
• Weighted residual factors for significantly intense reflections: 0.0865
• Goodness-of-fit parameter for all reflections: 1.107
• Goodness-of-fit parameter for significantly intense reflections: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No