Information card for entry 8106315

Structure parameters

• Formula: C6 H7 N2 O5 Zn0.5
• Calculated formula: C6 H7 N2 O5 Zn0.5
• Title of publication: Crystal structure of diaqua-bis(5-carboxy-1-methyl-1H-imidazole-4-carboxylato-κ2 N,O)zinc(II), C12H14N4O10Zn
• Authors of publication: Xiao-Ling, Li; Ru-Meng, Zhang; Li, Liu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 5
• Pages of publication: 833 - 834
• a: 9.0277 ± 0.0004 Å
• b: 12.0102 ± 0.0005 Å
• c: 15.3939 ± 0.0005 Å
• α: 90°
• β: 95.04 ± 0.003°
• γ: 90°
• Cell volume: 1662.62 ± 0.11 ų
• Cell temperature: 292.04 ± 0.1 K
• Ambient diffraction temperature: 292.04 ± 0.1 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: 0.025
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No