Information card for entry 4107342

Structure parameters

• Formula: C38 H85 Nb O3 Si3
• Calculated formula: C38 H68.59 Nb O3 Si3
• Title of publication: Olefin Substitution in (silox)3M(olefin) (silox =tBu3SiO; M = Nb, Ta): The Role of Density of States in Second vs Third Row Transition Metal Reactivity
• Authors of publication: Kurt F. Hirsekorn; Elliott B. Hulley; Peter T. Wolczanski; Thomas R. Cundari
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 1183 - 1196
• a: 12.985 ± 0.002 Å
• b: 30.152 ± 0.005 Å
• c: 13.181 ± 0.002 Å
• α: 90°
• β: 118.745 ± 0.003°
• γ: 90°
• Cell volume: 4524.7 ± 1.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1834
• Weighted residual factors for all reflections included in the refinement: 0.1921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.358
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No