Information card for entry 4108246

Structure parameters

• Common name: (BDI)(XylNCMe2)Nb(NCMe3)
• Formula: C44 H65 N4 Nb
• Calculated formula: C44 H65 N4 Nb
• SMILES: [Nb]12(N(C2(C)C)c2c(cccc2C)C)(=NC(C)(C)C)N(c2c(cccc2C(C)C)C(C)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: 12.253 ± 0.003 Å
• b: 13.004 ± 0.003 Å
• c: 13.033 ± 0.003 Å
• α: 99.359 ± 0.003°
• β: 93.498 ± 0.003°
• γ: 94.676 ± 0.003°
• Cell volume: 2036.4 ± 0.8 ų
• Cell temperature: 119 ± 2 K
• Ambient diffraction temperature: 119 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No