Information card for entry 4066568

Structure parameters

• Formula: C36 H66 N3 Nb
• Calculated formula: C36 H66 N3 Nb
• SMILES: [NbH]1(N(C21CCCCC2)C1CCCCC1)(N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1
• 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: 9.7823 ± 0.0017 Å
• b: 10.031 ± 0.002 Å
• c: 18.947 ± 0.004 Å
• α: 89.405 ± 0.006°
• β: 86.813 ± 0.006°
• γ: 74.978 ± 0.006°
• Cell volume: 1792.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0733
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No