Information card for entry 2230291

Structure parameters

• Chemical name: Bis{2-[4-(methylsulfanyl)phenyl]-1<i>H</i>-benzimidazol-3-ium} tetrabromidocadmate(II) ethanol monosolvate
• Formula: C30 H32 Br4 Cd N4 O S2
• Calculated formula: C30 H32 Br4.002 Cd N4 O S2
• Title of publication: Bis{2-[4-(methylsulfanyl)phenyl]-1<i>H</i>-benzimidazol-3-ium} tetrabromidocadmate(II) ethanol monosolvate
• Authors of publication: Manjunatha, M. N.; Ziaulla, Mohamed; Begum, Noor Shahina; Nagasundara, K. R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m771
• a: 22.1321 ± 0.0015 Å
• b: 13.8746 ± 0.001 Å
• c: 22.2594 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6835.3 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 0.791
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes