Information card for entry 4108390

Structure parameters

• Formula: C78 H180 O6 P2 Si6 W2
• Calculated formula: C78 H180 O6 P2 Si6 W2
• 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: 12.9564 ± 0.0011 Å
• b: 20.469 ± 0.0017 Å
• c: 21.6634 ± 0.0017 Å
• α: 63.76 ± 0.004°
• β: 80.022 ± 0.004°
• γ: 76.894 ± 0.004°
• Cell volume: 5001.4 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No