Information card for entry 4108243

Structure parameters

• Common name: (BDI)(CO)2Nb(NCMe3)
• Formula: C35 H50 N3 Nb O2
• Calculated formula: C35 H50 N3 Nb O2
• SMILES: [Nb]1(=NC(C)(C)C)(N(c2c(cccc2C(C)C)C(C)C)C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)(C#[O])C#[O]
• Title of publication: An Unusally Diverse Array of Products Formed upon Carbonylation of a Dialkylniobium Complex
• Authors of publication: Neil C. Tomson; Andrew Yan; John Arnold; Robert G. Bergman
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 11262 - 11263
• a: 16.941 ± 0.003 Å
• b: 20.984 ± 0.004 Å
• c: 19.668 ± 0.004 Å
• α: 90°
• β: 103.88 ± 0.002°
• γ: 90°
• Cell volume: 6788 ± 2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0784
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No