Information card for entry 7023789

Structure parameters

• Formula: C53 H51 B Cl2 F10 N O P Zr
• Calculated formula: C53 H51 B Cl2 F10 N O P Zr
• Title of publication: Reactions of dimethylzirconocene complexes with a vicinal frustrated P/B Lewis pair.
• Authors of publication: Frömel, Silke; Kehr, Gerald; Fröhlich, Roland; Daniliuc, Constantin G.; Erker, Gerhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 40
• Pages of publication: 14531 - 14536
• a: 18.215 ± 0.0002 Å
• b: 12.6017 ± 0.0002 Å
• c: 22.4162 ± 0.0003 Å
• α: 90°
• β: 100.989 ± 0.001°
• γ: 90°
• Cell volume: 5051.07 ± 0.12 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 9
• 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: 0.0688
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No