Information card for entry 4124764

Structure parameters

• Common name: bmkxr56
• Formula: C58 H95 N8 Nb
• Calculated formula: C58 H95 N8 Nb
• SMILES: C1(=CC(C)=[N](c2c(cccc2C(C)C)C(C)C)[Nb]2([N](CCCC)=C3C(=[N]2CCCC)N(C(=C3\N=C\CCC)/C=N/CCCC)CCCC)(N1c1c(cccc1C(C)C)C(C)C)=NC(C)(C)C)C
• 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: 13.0963 ± 0.0005 Å
• b: 20.4362 ± 0.0007 Å
• c: 21.6295 ± 0.0007 Å
• α: 90°
• β: 101.979 ± 0.002°
• γ: 90°
• Cell volume: 5662.8 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No