Information card for entry 4101927

Structure parameters

• Formula: C42 H63 N4 Nb O3
• Calculated formula: C42 H63 N4 Nb O3
• SMILES: [Nb](N(c1cc(cc(c1)C)C)C(C)(C)C)(N(c1cc(cc(c1)C)C)C(C)(C)C)(N(c1cc(cc(c1)C)C)C(C)(C)C)(N=C=O)OC(=O)C(C)(C)C
• Title of publication: Ligand-Based Reduction of CO2 to CO Mediated by an Anionic Niobium Nitride Complex
• Authors of publication: Jared S. Silvia; Christopher C. Cummins
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 2169 - 2171
• a: 10.342 ± 0.0008 Å
• b: 13.7425 ± 0.0011 Å
• c: 15.7297 ± 0.0013 Å
• α: 83.491 ± 0.001°
• β: 81.063 ± 0.001°
• γ: 68.663 ± 0.001°
• Cell volume: 2053.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0515
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No