Information card for entry 7059672

Structure parameters

• Formula: C25 H22 B F4 P
• Calculated formula: C25 H22 B F4 P
• Title of publication: Effect of anions on the solid-state interplay of symmetric and unsymmetric phosphonium cations
• Authors of publication: Ling, Irene; Skelton, Brian W.; Sobolev, Alexandre N.; Alias, Yatimah; Khor, Zong Chin; Raston, Colin L.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 25
• Pages of publication: 10220 - 10228
• a: 9.5047 ± 0.0002 Å
• b: 21.5886 ± 0.0005 Å
• c: 11.1289 ± 0.0003 Å
• α: 90°
• β: 107.748 ± 0.003°
• γ: 90°
• Cell volume: 2174.89 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.1698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No