Information card for entry 4088779

Structure parameters

• Formula: C36 H26 B Cl F10 O Zr
• Calculated formula: C36 H26 B Cl F10 O 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: 18.1974 ± 0.0004 Å
• b: 9.3921 ± 0.0002 Å
• c: 19.462 ± 0.0005 Å
• α: 90°
• β: 90.236 ± 0.001°
• γ: 90°
• Cell volume: 3326.26 ± 0.13 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• 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: 0.1128
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No