Information card for entry 7043024

Structure parameters

• Formula: C24 H48 B Br P2
• Calculated formula: C24 H48 B Br P2
• SMILES: [BH2]([PH](C1CCCCC1)C1CCCCC1)[PH+](C1CCCCC1)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: 11.1026 ± 0.0003 Å
• b: 12.0068 ± 0.0003 Å
• c: 12.5924 ± 0.0003 Å
• α: 117.069 ± 0.0011°
• β: 109.932 ± 0.0014°
• γ: 96.4193 ± 0.0013°
• Cell volume: 1331.87 ± 0.07 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for all reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9794
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No