Information card for entry 7043025

Structure parameters

• Formula: C16 H24 B Br P2
• Calculated formula: C16 H24 B Br P2
• SMILES: [BH2]([P](C)(C)c1ccccc1)[P+](C)(C)c1ccccc1.[Br-]
• 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: 12.5325 ± 0.0004 Å
• b: 13.6104 ± 0.0005 Å
• c: 12.315 ± 0.0003 Å
• α: 90°
• β: 119.507 ± 0.0016°
• γ: 90°
• Cell volume: 1828.13 ± 0.1 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for all reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9862
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No