Information card for entry 4101929

Structure parameters

• Formula: C41 H61 N4 Nb O3.5
• Calculated formula: C41 H61 N4 Nb O3.5
• 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: 19.4174 ± 0.0015 Å
• b: 12.2901 ± 0.001 Å
• c: 16.7769 ± 0.0013 Å
• α: 90°
• β: 96.863 ± 0.002°
• γ: 90°
• Cell volume: 3975 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0696
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No