Information card for entry 8102722

Structure parameters

• Chemical name: Poly[diaquabis(μ-4-carboxy-2-ethyl-1H-imidazole -5-carboxylato-k^3^N^3^,O^4^:O^5^)calcium(II)], [Ca(C~7~H~7~N~2~O~4~)~2~(H~2~O)~2~]~n~
• Formula: C14 H18 Ca N4 O10
• Calculated formula: C14 H18 Ca N4 O10
• Title of publication: Crystal structure of diaquabis(m-4-carboxy-2-ethyl-1H-imidazole-5-carboxylato-k3N3,O4:O5)calcium(II), Ca(H2O)2(C7H7N2O4)2
• Authors of publication: Da-Min Tian; Yin-Feng Li; Cheng-Jun Hao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 403
• a: 12.2479 ± 0.0013 Å
• b: 13.3451 ± 0.0015 Å
• c: 11.315 ± 0.001 Å
• α: 90°
• β: 99.191 ± 0.001°
• γ: 90°
• Cell volume: 1825.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0469
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No