Information card for entry 7702575

Structure parameters

• Formula: C77 H77 Nb O2 Si2
• Calculated formula: C77 H77 Nb O2 Si2
• Title of publication: Studies of the alkylation of niobium and tantalum halides containing 2,6-diarylphenoxide ancillary ligation
• Authors of publication: Schweiger, Scott W.; Salberg, Michelle M.; Pulvirenti, April L.; Freeman, Emily E.; Fanwick, Phillip E.; Rothwell, Ian P.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 13
• Pages of publication: 2020
• a: 23.6191 ± 0.0005 Å
• b: 10.9492 ± 0.0002 Å
• c: 27.745 ± 0.0006 Å
• α: 90°
• β: 114.968 ± 0.0008°
• γ: 90°
• Cell volume: 6504.6 ± 0.2 ų
• Cell temperature: 163 K
• Ambient diffraction temperature: 163 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 significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No