Information card for entry 4077364

Structure parameters

• Formula: C24 H12 B F10 O Ta
• Calculated formula: C24 H12 B F10 O Ta
• SMILES: [Ta]12345678(C#[O])(CB(c9c(F)c(F)c(F)c(F)c9F)c9c(F)c(F)c(F)c(F)c9F)([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Reactions of Bis(pentafluorophenyl)borane with Cp2Ta(CH2)CH3: Generation and Trapping of Tantalocene Borataalkene Complexes
• Authors of publication: Cook, Kevin S.; Piers, Warren E.; Woo, Tom K.; McDonald, Robert
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 18
• Pages of publication: 3927
• a: 8.1958 ± 0.0005 Å
• b: 15.8023 ± 0.0009 Å
• c: 16.6702 ± 0.0009 Å
• α: 90°
• β: 94.167 ± 0.001°
• γ: 90°
• Cell volume: 2153.3 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No