Information card for entry 4066566

Structure parameters

• Common name: Nb((i-Pr)NC(H)=C(H)tBu)(NAr)(N[Np]Ar)2
• Formula: C43 H67 N4 Nb
• Calculated formula: C43 H67 N4 Nb
• SMILES: [Nb](N(c1cc(cc(c1)C)C)CC(C)(C)C)(N(c1cc(cc(c1)C)C)CC(C)(C)C)(=Nc1cc(cc(c1)C)C)N(/C=C/C(C)(C)C)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: 12.6373 ± 0.0013 Å
• b: 13.3756 ± 0.0015 Å
• c: 14.4055 ± 0.0016 Å
• α: 99.509 ± 0.002°
• β: 101.272 ± 0.002°
• γ: 111.233 ± 0.002°
• Cell volume: 2150.5 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.06
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No