Information card for entry 7116201

Structure parameters

• Formula: C51 H62 Cl Li N2 O2 P2
• Calculated formula: C51 H62 Cl Li N2 O2 P2
• Title of publication: Formation of a zwitterionic boronium species from the reaction of a stable carbenoid with borane: CO2 reduction.
• Authors of publication: Ho, Samuel Y.-F.; So, Cheuk-Wai; Saffon-Merceron, Nathalie; Mézailles, Nicolas
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 11
• Pages of publication: 2107 - 2110
• a: 13.3879 ± 0.0018 Å
• b: 14.2429 ± 0.0019 Å
• c: 15.839 ± 0.002 Å
• α: 63.721 ± 0.006°
• β: 84.21 ± 0.006°
• γ: 63.061 ± 0.007°
• Cell volume: 2395.4 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.1387
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No