Information card for entry 7705789

Structure parameters

• Formula: C50 H24 B Cl3 F20 N
• Calculated formula: C50 H24 B Cl3 F20 N
• Title of publication: Insertion reactions of the C-B-N-substituted borinium cation [MesBNⁱPr₂]<sup/>.
• Authors of publication: Bamford, Karlee L.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 48
• Pages of publication: 17571 - 17577
• a: 16.669 ± 0.002 Å
• b: 17.845 ± 0.0018 Å
• c: 17.41 ± 0.002 Å
• α: 90°
• β: 117.46 ± 0.006°
• γ: 90°
• Cell volume: 4595.3 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1557
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No