Information card for entry 7043017

Structure parameters

• Formula: C41 H41 As B F6 O P3
• Calculated formula: C41 H41 As B F6 O P3
• SMILES: [As](F)(F)(F)(F)([F-])F.[BH2]1[P](CC(CP(=O)(c2ccccc2)c2ccccc2)(C[P+]1(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1
• 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: 12.7639 ± 0.0003 Å
• b: 21.4218 ± 0.0005 Å
• c: 14.4115 ± 0.0002 Å
• α: 90°
• β: 95.4493 ± 0.0013°
• γ: 90°
• Cell volume: 3922.67 ± 0.14 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• 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: 0.0783
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections: 0.1347
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9475
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No