Information card for entry 7025823

Structure parameters

• Formula: C42.5 H39 B Cl2 F10 N O P
• Calculated formula: C42.5 H39 B Cl2 F10 N O P
• Title of publication: Addition reactions to the intramolecular mesityl2P-CH2-CH2-B(C6F5)2 frustrated Lewis pair.
• Authors of publication: Mömming, Cornelia M; Kehr, Gerald; Wibbeling, Birgit; Fröhlich, Roland; Erker, Gerhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 32
• Pages of publication: 7556 - 7564
• a: 29.544 ± 0.0006 Å
• b: 14.343 ± 0.0004 Å
• c: 22.6139 ± 0.0007 Å
• α: 90°
• β: 122.078 ± 0.001°
• γ: 90°
• Cell volume: 8119.6 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1737
• Weighted residual factors for all reflections included in the refinement: 0.1821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No