Information card for entry 4108244

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: 9.8916 ± 0.0011 Å
• b: 11.5679 ± 0.0013 Å
• c: 16.3201 ± 0.0017 Å
• α: 81.504 ± 0.002°
• β: 82.576 ± 0.002°
• γ: 68.648 ± 0.002°
• Cell volume: 1714.4 ± 0.3 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No