Information card for entry 7038782

Structure parameters

• Formula: C46 H47 B F10 N O2 P
• Calculated formula: C46 H47 B F10 N O2 P
• Title of publication: Nitro-redox reactions at a frustrated borane/phosphane Lewis pair.
• Authors of publication: Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6820 - 6823
• a: 13.2257 ± 0.0003 Å
• b: 13.5489 ± 0.0006 Å
• c: 13.5621 ± 0.0004 Å
• α: 72.298 ± 0.001°
• β: 69.121 ± 0.002°
• γ: 72.966 ± 0.001°
• Cell volume: 2116.13 ± 0.13 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1237
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.1734
• Weighted residual factors for all reflections included in the refinement: 0.2047
• 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