Information card for entry 4113623

Structure parameters

• Common name: Nb(N=C(H)tBu)(tBu(H)c=NAr)(N[Np]Ar)2
• Formula: C44 H69 N4 Nb
• Calculated formula: C44 H69 N4 Nb
• SMILES: [Nb]1(N=CC(C)(C)C)(N(c2cc(cc(c2)C)C)CC(C)(C)C)(N(C1C(C)(C)C)c1cc(cc(c1)C)C)N(c1cc(cc(c1)C)C)CC(C)(C)C
• Title of publication: The Niobaziridine-Hydride Functional Group: Synthesis and Divergent Reactivity
• Authors of publication: Joshua S. Figueroa; Christopher C. Cummins
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 4020 - 4021
• a: 19.9926 ± 0.0016 Å
• b: 10.8813 ± 0.0009 Å
• c: 22.5023 ± 0.0018 Å
• α: 90°
• β: 116.247 ± 0.001°
• γ: 90°
• Cell volume: 4390.6 ± 0.6 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0622
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No