Information card for entry 4345052

Structure parameters

• Common name: bmkxr59
• Formula: C83.75 H90.25 B F20 N6 Nb2 O1.75
• Calculated formula: C83.85 H90.2 B F20 N6 Nb2 O1.65
• 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: 29.313 ± 0.0018 Å
• b: 16.0203 ± 0.0009 Å
• c: 17.5435 ± 0.0012 Å
• α: 90°
• β: 100.729 ± 0.003°
• γ: 90°
• Cell volume: 8094.5 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0647
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No