Information card for entry 7043027

Structure parameters

• Formula: C26 H50 B2 Br4 P2
• Calculated formula: C26 H50 B2 Br4 P2
• SMILES: [BH]([P](CC[P]([BH](Br)Br)(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1)(Br)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: 18.4285 ± 0.0007 Å
• b: 8.5936 ± 0.0003 Å
• c: 20.9657 ± 0.0008 Å
• α: 90°
• β: 94.666 ± 0.002°
• γ: 90°
• Cell volume: 3309.3 ± 0.2 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for all reflections: 0.1817
• Weighted residual factors for significantly intense reflections: 0.1672
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9337
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No