Information card for entry 4066565

Structure parameters

• Common name: [Nb(=NCH(tBu)CH(tBu)NAr)(N[Np]Ar)2]
• Formula: C44 H69 N4 Nb
• Calculated formula: C44 H69 N4 Nb
• SMILES: [Nb]1(N(c2cc(cc(c2)C)C)[C@H]([C@@H](N=1)C(C)(C)C)C(C)(C)C)(N(c1cc(cc(C)c1)C)CC(C)(C)C)N(c1cc(cc(c1)C)C)CC(C)(C)C.[Nb]1(N(c2cc(cc(c2)C)C)[C@@H]([C@H](N=1)C(C)(C)C)C(C)(C)C)(N(c1cc(cc(C)c1)C)CC(C)(C)C)N(c1cc(cc(c1)C)C)CC(C)(C)C
• Title of publication: Niobaziridine Hydrides†
• Authors of publication: Figueroa, Joshua S.; Piro, Nicholas A.; Mindiola, Daniel J.; Fickes, Michael G.; Cummins, Christopher C.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5215
• a: 10.6846 ± 0.0009 Å
• b: 22.2912 ± 0.0019 Å
• c: 18.3029 ± 0.0016 Å
• α: 90°
• β: 91.273 ± 0.001°
• γ: 90°
• Cell volume: 4358.2 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• 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: 0.0457
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No