Information card for entry 2008495

Structure parameters

• Chemical name: 5-Ethyl-2-phenyl-3-trifluoromethyl-1-(2,4,6-trichlorophenyl)-1H- 1,2,4-triazolium hexachloroantimonate
• Formula: C17 H12 Cl9 F3 N3 Sb
• Calculated formula: C17 H12 Cl9 F3 N3 Sb
• Title of publication: 5-Ethyl-2-phenyl-1-(2,4,6-trichlorophenyl)-3-trifluoromethyl-1<i>H</i>-1,2,4-triazolium hexachloroantimonate
• Authors of publication: Xian-Jun Liu; Yu-Bo Fan; Yi Liu; Quan-Rui Wang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: IUC9900047
• a: 11.586 ± 0.001 Å
• b: 15.48 ± 0.002 Å
• c: 15.408 ± 0.001 Å
• α: 90°
• β: 103.436 ± 0.008°
• γ: 90°
• Cell volume: 2687.8 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.038
• Goodness-of-fit parameter for significantly intense reflections: 1.54
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No