Information card for entry 4113618

Structure parameters

• Common name: Nb(Se)(N[Np]Ar)3
• Formula: C39 H60 N3 Nb Se
• Calculated formula: C39 H60 N3 Nb Se
• SMILES: [Nb](=[Se])(N(c1cc(cc(c1)C)C)CC(C)(C)C)(N(c1cc(cc(c1)C)C)CC(C)(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: 11.1454 ± 0.0008 Å
• b: 10.6072 ± 0.0008 Å
• c: 33.26 ± 0.003 Å
• α: 90°
• β: 90 ± 0.001°
• γ: 90°
• Cell volume: 3932 ± 0.5 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• 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: 0.0655
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.387
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No