Information card for entry 4124763

Structure parameters

• Common name: bmkxr64
• Formula: C56 H72 N5 Nb
• Calculated formula: C56 H72 N5 Nb
• SMILES: C1(=[N](c2c(cccc2C(C)C)C(C)C)[Nb]2(C(=[N]2Cc2ccccc2)Cc2ccccc2)(C#N)(N(C(=C1)C)c1c(cccc1C(C)C)C(C)C)=NC(C)(C)C)C.Cc1ccccc1
• 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: 32.2869 ± 0.0018 Å
• b: 13.8363 ± 0.0008 Å
• c: 24.0429 ± 0.0014 Å
• α: 90°
• β: 110.578 ± 0.003°
• γ: 90°
• Cell volume: 10055.4 ± 1 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: 0.0741
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No