Information card for entry 2236455

Structure parameters

• Chemical name: Bis(2-methyl-1<i>H</i>-benzimidazol-3-ium) naphthalene-1,5-disulfonate
• Formula: C26 H24 N4 O6 S2
• Calculated formula: C26 H24 N4 O6 S2
• Title of publication: Bis(2-methyl-1<i>H</i>-benzimidazol-3-ium) naphthalene-1,5-disulfonate
• Authors of publication: Wei, Shuai-Shuai; Jin, Shou-Wen; Dong, Qiong; Cao, Xin-Chao; Yu, Ze-Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2964
• a: 8.036 ± 0.0007 Å
• b: 9.3969 ± 0.0008 Å
• c: 9.5101 ± 0.0009 Å
• α: 105.789 ± 0.001°
• β: 103.303 ± 0.001°
• γ: 106.497 ± 0.002°
• Cell volume: 624.75 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.057
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes