Information card for entry 7702565

Structure parameters

• Formula: C72 H54 Br3 O2 Ta
• Calculated formula: C72 H54 Br3 O2 Ta
• 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: 12.5985 ± 0.0007 Å
• b: 13.873 ± 0.0008 Å
• c: 17.8161 ± 0.0006 Å
• α: 87.288 ± 0.003°
• β: 73.317 ± 0.003°
• γ: 76.722 ± 0.002°
• Cell volume: 2902.5 ± 0.3 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No