Information card for entry 4108245

Structure parameters

• Formula: C36 H56 N3 Nb O
• Calculated formula: C36 H56 N3 Nb O
• SMILES: [Nb]12(OC(C)C)(=NC(C)(C)C)N(c3c(cccc3C(C)C)C(C2)C)C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C
• 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: 13.398 ± 0.005 Å
• b: 14.714 ± 0.005 Å
• c: 18.212 ± 0.006 Å
• α: 90°
• β: 99.021 ± 0.005°
• γ: 90°
• Cell volume: 3546 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0723
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No