Information card for entry 7043012

Structure parameters

• Formula: C26 H51 B2 Br3 P2
• Calculated formula: C26 H51 B2 Br3 P2
• SMILES: [BH2]1[P](CC[P+]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1.[BH](Br)(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: 11.1381 ± 0.0001 Å
• b: 12.5367 ± 0.0002 Å
• c: 22.3536 ± 0.0003 Å
• α: 90°
• β: 97.2547 ± 0.0008°
• γ: 90°
• Cell volume: 3096.36 ± 0.07 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• 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: 0.0549
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections: 0.1251
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No