Information card for entry 2233457

Structure parameters

• Chemical name: 2-Trifluoromethyl-1<i>H</i>-benzimidazol-3-ium naphthalene-1,5-disulfonate
• Formula: C26 H18 F6 N4 O6 S2
• Calculated formula: C26 H18 F6 N4 O6 S2
• Title of publication: Bis(2-trifluoromethyl-1<i>H</i>-benzimidazol-3-ium) naphthalene-1,5-disulfonate
• Authors of publication: Liu, Ming-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o342
• a: 9.391 ± 0.0019 Å
• b: 9.4943 ± 0.0019 Å
• c: 9.976 ± 0.002 Å
• α: 109.32 ± 0.03°
• β: 96.86 ± 0.03°
• γ: 119.59 ± 0.03°
• Cell volume: 685.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes