Information card for entry 4075071

Structure parameters

• Formula: C68 H54 B2 F30 O Ta2
• Calculated formula: C68 H54 B2 F30 O Ta2
• Title of publication: Synthesis of the Cation Complex [TaCp*Me3]+and a Comparison of Its Reactivity with That of [TaCp*Me4]†
• Authors of publication: Sánchez-Nieves, Javier; Royo, Pascual; Mosquera, Marta E. G.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 9
• Pages of publication: 2331
• a: 13.5223 ± 0.0012 Å
• b: 15.006 ± 0.003 Å
• c: 17.416 ± 0.004 Å
• α: 81.144 ± 0.018°
• β: 88.494 ± 0.009°
• γ: 79.818 ± 0.015°
• Cell volume: 3436.9 ± 1.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0968
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No