Information card for entry 8101570

Structure parameters

• Common name: Tetraphenylphosphonium-thiocyanate
• Formula: C25 H20 N P S
• Calculated formula: C25 H20 N P S
• Title of publication: Crystal structure of tetraphenylphosphonium thiocyanate, (C~6~H~5~)~4~P(SCN)
• Authors of publication: Köckerling, Martin; Willems, Johannes B.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 4
• Pages of publication: 460 - 460
• a: 11.829 ± 0.003 Å
• b: 11.829 ± 0.003 Å
• c: 7.33 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1025.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0988
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No