Information card for entry 4066022

Structure parameters

• Formula: C37 H58 N3 Nb O
• Calculated formula: C37 H58 N3 Nb O
• SMILES: [Nb]1([O]2CCCC2)(=NC(C)(C)C)(=Nc2c(cccc2C(C)C)C(C)C)[N](=C(C=C1C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis, Characterization, and Reactions of Isolable (β-Diketiminato)Nb(III) Imido Complexes.
• Authors of publication: Tomson, Neil C.; Arnold, John; Bergman, Robert G.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5010 - 5025
• a: 10.4856 ± 0.0018 Å
• b: 18.636 ± 0.003 Å
• c: 21.082 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4119.6 ± 1.2 ų
• Cell temperature: 155 ± 2 K
• Ambient diffraction temperature: 155 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No