Information card for entry 4113621

Structure parameters

• Common name: (mu-2:eta-2,eta-2-P2)[Nb(N[Np]Ar)2]2
• Formula: C78 H120 N6 Nb2 P2
• Calculated formula: C78 H120 N6 Nb2 P2
• SMILES: [Nb]1([P]2[Nb]([P]1=2)(N(CC(C)(C)C)c1cc(cc(c1)C)C)(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)(N(CC(C)(C)C)c1cc(C)cc(c1)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: 13.931 ± 0.002 Å
• b: 16.519 ± 0.003 Å
• c: 34.582 ± 0.005 Å
• α: 90°
• β: 92.088 ± 0.003°
• γ: 90°
• Cell volume: 7953 ± 2 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 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: 0.088
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No