Information card for entry 4065888

Structure parameters

• Formula: C38 H55 Cl2 N4 Nb
• Calculated formula: C38 H55 Cl2 N4 Nb
• SMILES: [Nb]1(Cl)(Cl)(=NC(C)(C)C)([N](c2c(cccc2C(C)C)C(C)C)=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)[n]1ccccc1
• 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: 8.8653 ± 0.0008 Å
• b: 17.9863 ± 0.0017 Å
• c: 24.392 ± 0.002 Å
• α: 90°
• β: 99.792 ± 0.001°
• γ: 90°
• Cell volume: 3832.7 ± 0.6 ų
• Cell temperature: 136 ± 2 K
• Ambient diffraction temperature: 136 ± 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: 0.0531
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No