Information card for entry 7702566

Structure parameters

• Formula: C73 H55 Cl2 O2 Ta
• Calculated formula: C73 H55 Cl2 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: 10.6577 ± 0.0004 Å
• b: 14.7497 ± 0.0005 Å
• c: 19.165 ± 0.0007 Å
• α: 96.494 ± 0.002°
• β: 93.782 ± 0.002°
• γ: 106.265 ± 0.002°
• Cell volume: 2858.47 ± 0.18 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No