Information card for entry 4075373

Structure parameters

• Formula: C32 H21 B Cl2 F15 Ta
• Calculated formula: C32 H21 B Cl2 F15 Ta
• SMILES: [Ta]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)([cH]1[cH]5[cH]6[cH]7[cH]81)(C)C.Fc1c([B-](C)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c(F)c(F)c1F.C(Cl)Cl
• Title of publication: Activation of Tantalocene(V) Alkyl and Alkylidene Complexes with Strong Organo Lewis Acids and Application to Polymerization Catalysis
• Authors of publication: Mariott, Wesley R.; Gustafson, Laura O.; Chen, Eugene Y.-X.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 15
• Pages of publication: 3721
• a: 12.6003 ± 0.001 Å
• b: 15.4046 ± 0.0012 Å
• c: 16.4304 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3189.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No