Information card for entry 4114802

Structure parameters

• Formula: C34 H24 B Cl F10 Ta
• Calculated formula: C34 H24 B Cl F10 Ta
• Title of publication: Synthesis and Chemistry of Zwitterionic Tantala-3-boratacyclopentenes: Olefin-like Reactivity of a Borataalkene Ligand
• Authors of publication: Kevin S. Cook; Warren E. Piers; Robert McDonald
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 5411 - 5418
• a: 14.9651 ± 0.0007 Å
• b: 12.6093 ± 0.0006 Å
• c: 16.1443 ± 0.0008 Å
• α: 90°
• β: 103.1 ± 0.001°
• γ: 90°
• Cell volume: 2967.1 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• 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: 0.0265
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No