Information card for entry 4345053

Structure parameters

• Common name: LN38
• Formula: C29 H44 N3 Nb
• Calculated formula: C29 H44 N3 Nb
• SMILES: [Nb]1([N](c2c(cc(cc2C)C)C)=C(C=C(N1c1c(cc(cc1C)C)C)C)C)(=NC(C)(C)C)(C)C
• Title of publication: Redox-Initiated Reactivity of Dinuclear β-Diketiminatoniobium Imido Complexes.
• Authors of publication: Kriegel, Benjamin M.; Naested, Lara C. E.; Nocton, Grégory; Lakshmi, K. V.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 1626 - 1637
• a: 11.6055 ± 0.0005 Å
• b: 25.6882 ± 0.0011 Å
• c: 9.5984 ± 0.0004 Å
• α: 90°
• β: 98.73 ± 0.001°
• γ: 90°
• Cell volume: 2828.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0399
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No