Information card for entry 7010132

Structure parameters

• Formula: C21 H32 Cl N2 Nb
• Calculated formula: C21 H31.916 Cl1.084 N1.916 Nb
• Title of publication: Niobium η-cyclopentadienyl compounds with imido and amido ligands derived from tert-butylamine
• Authors of publication: Humphries, Martin J.; Green, Malcolm L. H.; Leech, Michael A.; Gibson, Vernon C.; Jolly, Matthew; Williams, David N.; Elsegood, Mark R. J.; Clegg, William
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 22
• Pages of publication: 4044
• a: 9.165 ± 0.002 Å
• b: 14.166 ± 0.004 Å
• c: 16.807 ± 0.003 Å
• α: 90°
• β: 96.78 ± 0.03°
• γ: 90°
• Cell volume: 2166.8 ± 0.9 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No