Information card for entry 2011135

Structure parameters

• Chemical name: 2-(1,3-Benzimidazol-2-io)-6-(1,3-benzimidazol-2-yl)pyridine perchlorate monohydrate
• Formula: C19 H16 Cl N5 O5
• Calculated formula: C19 H16 Cl N5 O5
• Title of publication: 2-[6-(1<i>H</i>-Benzimidazol-2-yl)-2-pyridyl]-1<i>H</i>-benzimidazol-3-ium perchlorate monohydrate
• Authors of publication: Boča, Miroslav; Valigura, Dušan; Svoboda, Ingrid; Fuess, Hartmut; Linert, Wolfgang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 838 - 839
• a: 9.168 ± 0.002 Å
• b: 15.111 ± 0.003 Å
• c: 13.962 ± 0.003 Å
• α: 90°
• β: 101.98 ± 0.02°
• γ: 90°
• Cell volume: 1892.1 ± 0.7 ų
• Cell temperature: 304 ± 2 K
• Ambient diffraction temperature: 304 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No