Information card for entry 2235805

Structure parameters

• Chemical name: Ethane-1,2-diaminium bis(4-carboxy-2-propyl-1<i>H</i>-imidazole-5-carboxyate) monohydrate
• Formula: C18 H30 N6 O9
• Calculated formula: C18 H30 N6 O9
• Title of publication: Ethane-1,2-diaminium bis(4-carboxy-2-propyl-1<i>H</i>-imidazole-5-carboxyate) monohydrate
• Authors of publication: Ying, Yi-Mei; Zhang, Tong; Yang, Guang-Rui; Ma, Ning
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2327
• a: 15.234 ± 0.004 Å
• b: 16.859 ± 0.004 Å
• c: 9.699 ± 0.003 Å
• α: 90°
• β: 112.991 ± 0.005°
• γ: 90°
• Cell volume: 2293.1 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1678
• Weighted residual factors for all reflections included in the refinement: 0.1824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes