Information card for entry 7059670

Structure parameters

• Formula: C27 H22 F6 N O4 P S2
• Calculated formula: C27 H22 F6 N O4 P S2
• 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: 19.7732 ± 0.0006 Å
• b: 8.4372 ± 0.0002 Å
• c: 16.5014 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2752.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No