Information card for entry 4065890

Structure parameters

• Formula: C40 H57 Cl N3 Nb
• Calculated formula: C40 H57 Cl N3 Nb
• SMILES: [Nb]1(Cl)(=NC(C)(C)C)(N(c2c(cccc2C(C)C)C(C)C)C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1ccc(cc1)C
• Title of publication: Halo, Alkyl, Aryl, and Bis(imido) Complexes of Niobium Supported by the beta-Diketiminato Ligand.
• Authors of publication: Tomson, Neil C.; Arnold, John; Bergman, Robert G.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 13
• Pages of publication: 2926 - 2942
• a: 13.757 ± 0.002 Å
• b: 16.524 ± 0.003 Å
• c: 17.039 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3873.3 ± 1.1 ų
• Cell temperature: 122 ± 2 K
• Ambient diffraction temperature: 122 ± 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: 0.0617
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No