Information card for entry 2204531

Structure parameters

• Chemical name: Benzimidazolium 3-carboxyphenoxyacetate 3-carboxyphenoxyacetatic acid
• Formula: C25 H22 N2 O10
• Calculated formula: C25 H22 N2 O10
• Title of publication: A second monoclinic modification of benzimidazolium 3-carboxyphenoxyacetate 3-carboxyphenoxyacetic acid
• Authors of publication: Gao, Shan; Huo, Li-Hua; Gu, Chang-Sheng; Zhao, Hui; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o1914 - o1916
• a: 7.647 ± 0.002 Å
• b: 21.158 ± 0.004 Å
• c: 14.122 ± 0.003 Å
• α: 90°
• β: 95.08 ± 0.03°
• γ: 90°
• Cell volume: 2275.9 ± 0.9 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: 0.094
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes