Information card for entry 7043026

Structure parameters

• Formula: C16 H24 As B F6 P2
• Calculated formula: C16 H24 As B F6 P2
• SMILES: [As](F)(F)(F)([F-])(F)F.[BH2]([P](C)(C)c1ccccc1)[P](C)(C)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: 11.0302 ± 0.0001 Å
• b: 16.4541 ± 0.0002 Å
• c: 35.0725 ± 0.0005 Å
• α: 90°
• β: 93.3927 ± 0.0005°
• γ: 90°
• Cell volume: 6354.22 ± 0.13 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• 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: 0.0894
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections: 0.1606
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9629
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No