Information card for entry 7010228

Structure parameters

• Formula: C22 H27 N2 Nb
• Calculated formula: C22 H27 N2 Nb
• SMILES: [Nb]1234(Nc5c(C)cccc5C)(=Nc5c(C)cccc5C)(C)[cH]5[cH]1[cH]2[cH]3[cH]45
• Title of publication: Niobium‒η-cyclopentadienyl compounds with imido and amido ligands derived from 2,6-dimethylaniline
• Authors of publication: Humphries, Martin J.; Green, Malcolm L. H.; Douthwaite, Richard E.; Rees, Leigh H.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 24
• Pages of publication: 4555
• a: 8.49 ± 0.002 Å
• b: 24.276 ± 0.005 Å
• c: 10.274 ± 0.002 Å
• α: 90°
• β: 108.29 ± 0.03°
• γ: 90°
• Cell volume: 2010.5 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0553
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections: 0.1178
• Weighted residual factors for significantly intense reflections: 0.1178
• Goodness-of-fit parameter for all reflections: 1.392
• Goodness-of-fit parameter for significantly intense reflections: 1.392
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No