Information card for entry 7043016

Structure parameters

• Formula: C26.89 H27.79 B Br Cl1.79 P2
• Calculated formula: C26.8925 H27.785 B Br Cl1.7855 P2
• Title of publication: Synthetic and Structural Studies of Phosphine Coordinated Boronium Salts
• Authors of publication: Hill, Anthony; Ward, Jas S.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.8454 ± 0.0002 Å
• b: 15.8917 ± 0.0003 Å
• c: 14.0831 ± 0.0003 Å
• α: 90°
• β: 101.305 ± 0.0011°
• γ: 90°
• Cell volume: 2819.07 ± 0.09 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• 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: 0.0649
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections: 0.154
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9833
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No