Information card for entry 2009409

Structure parameters

• Formula: C18 H26 Cl2 Nb
• Calculated formula: C18 H26 Cl2 Nb
• SMILES: [Nb](Cl)(Cl)([cH]12)([cH]13)([cH]21)([cH]12)([c]23C(C)(C)C)([cH]12)([cH]13)([cH]21)([cH]12)[cH]23C(C)(C)C
• Title of publication: Bis(η^5^-<i>tert</i>-butylcyclopentadienyl)dichloroniobium(IV)
• Authors of publication: McCamley, Andrew; Miller, Thomas J.; Clegg, William
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 1
• Pages of publication: 33 - 36
• a: 10.383 ± 0.002 Å
• b: 12.906 ± 0.003 Å
• c: 13.327 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1785.9 ± 0.7 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for all reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.0731
• Goodness-of-fit parameter for all reflections: 1.053
• Goodness-of-fit parameter for significantly intense reflections: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No