Information card for entry 8102627

Structure parameters

• Formula: C16 H22 K N4 O10
• Calculated formula: C16 H22 Ca N4 O10
• Title of publication: Crystal structure of diaqua-bis(hydrogen 2-propyl-1H-imidazole-4,5-dicarboxylato)calcium(II), Ca(H~2~O)~2~(C~8~H~9~N~2~O~4~)~2~
• Authors of publication: Feng, Xun; Miao, Shao-Bin; Li, Rong-Fang; Shi, Xin-Ge; Wang, Li-Ya
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 1
• Pages of publication: 119
• a: 12.724 ± 0.002 Å
• b: 13.03 ± 0.002 Å
• c: 11.703 ± 0.002 Å
• α: 90°
• β: 97.856 ± 0.002°
• γ: 90°
• Cell volume: 1922.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0478
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No