Information card for entry 4113615

Structure parameters

• Common name: Nb(H)(tBu(H)C=NAr)(N[Np]Ar)2
• Formula: C39 H60 N3 Nb
• Calculated formula: C39 H60 N3 Nb
• SMILES: [NbH]1(N(c2cc(cc(c2)C)C)CC(C)(C)C)(N(C1C(C)(C)C)c1cc(cc(c1)C)C)N(CC(C)(C)C)c1cc(cc(c1)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: 11.0193 ± 0.0007 Å
• b: 11.2042 ± 0.0007 Å
• c: 17.2591 ± 0.0012 Å
• α: 79.092 ± 0.001°
• β: 84.314 ± 0.001°
• γ: 66.605 ± 0.001°
• Cell volume: 1919.7 ± 0.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No