Information card for entry 4088778

Structure parameters

• Formula: C29 H17 B Cl2 F10 Zr
• Calculated formula: C29 H17 B Cl2 F10 Zr
• Title of publication: Borata-Alkene Derived Syntheses of (F5C6)2B-Substituted Bis(indenyl) Group 4 Metal Complexes
• Authors of publication: Kohrt, Sonja; Kehr, Gerald; Daniliuc, Constantin G.; Rojas, René S.; Rieger, Bernhard; Troll, Carsten; Erker, Gerhard
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 16
• Pages of publication: 2689
• a: 11.6443 ± 0.0002 Å
• b: 20.1078 ± 0.0003 Å
• c: 12.1775 ± 0.0003 Å
• α: 90°
• β: 98.686 ± 0.001°
• γ: 90°
• Cell volume: 2818.55 ± 0.09 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.041
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No