Information card for entry 7059671

Structure parameters

• Formula: C26 H22 N P S
• Calculated formula: C26 H22 N P S
• 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: 9.895 ± 0.0004 Å
• b: 12.8564 ± 0.0005 Å
• c: 18.7165 ± 0.0009 Å
• α: 70.204 ± 0.004°
• β: 84.593 ± 0.004°
• γ: 76.784 ± 0.004°
• Cell volume: 2180.59 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No