Information card for entry 2208817

Structure parameters

• Chemical name: Benzimidazolium 3,5-dihydroxybenzoate benzimidazole
• Formula: C21 H18 N4 O4
• Calculated formula: C21 H18 N4 O4
• Title of publication: Benzimidazolium 3,5-dihydroxybenzoate benzimidazole
• Authors of publication: Xuan Huang; Jia-Geng Liu; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1833 - o1835
• a: 15.07 ± 0.002 Å
• b: 13.353 ± 0.002 Å
• c: 19.358 ± 0.004 Å
• α: 90°
• β: 90.262 ± 0.007°
• γ: 90°
• Cell volume: 3895.4 ± 1.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.069
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes