Information card for entry 4124768

Structure parameters

• Common name: bmkxr60
• Formula: C54 H80 N5 Nb
• Calculated formula: C54 H80 N5 Nb
• Title of publication: Nitrene Metathesis and Catalytic Nitrene Transfer Promoted by Niobium Bis(imido) Complexes.
• Authors of publication: Kriegel, Benjamin M.; Bergman, Robert G.; Arnold, John
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 1
• Pages of publication: 52 - 55
• a: 19.7899 ± 0.0015 Å
• b: 15.6263 ± 0.0011 Å
• c: 17.021 ± 0.0014 Å
• α: 90°
• β: 103.833 ± 0.004°
• γ: 90°
• Cell volume: 5111 ± 0.7 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: 0.0844
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No