Information card for entry 2200418

Structure parameters

• Chemical name: Potassium (E)-2-Phenyl-1-ethenyltrifluoroborate
• Formula: C8 H7 B F3 K
• Calculated formula: C8 H7 B F3 K
• SMILES: [K+].F[B](F)(F)/C=C/c1ccccc1
• Title of publication: Potassium trifluoro[(<i>E</i>)-2-phenyl-1-ethenyl]borate
• Authors of publication: Thadani, Avinash N.; Batey, Robert A.; Smil, David V.; Lough, Alan J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: m333 - m334
• a: 7.0265 ± 0.0004 Å
• b: 18.9749 ± 0.001 Å
• c: 7.1157 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 948.72 ± 0.09 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes