Information card for entry 8107620

Structure parameters

• Formula: C27 H28 N4 O16 Zn2
• Calculated formula: C27 H28 N4 O16 Zn2
• Title of publication: Crystal structure of poly[diaqua-(μ 2-1,3-di(1H-imidazol-1-yl)propane-κ 2 N:N′)-bis(μ 2-5-carboxybenzene-1,3-dicarboxylato-O,O′:O″)-aqua-di-zinc dihydrate solvate], C27H28N4O16Zn2
• Authors of publication: Zhang, Yan; Wang, Jia-Xin; Huang, Pei-Pei; Wu, Ting-Ting; Gao, Jia-Hao; Lu, Jiu-Fu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 5
• Pages of publication: 991 - 993
• a: 13.072 ± 0.0003 Å
• b: 15.7589 ± 0.0005 Å
• c: 14.932 ± 0.0006 Å
• α: 90°
• β: 95.373 ± 0.003°
• γ: 90°
• Cell volume: 3062.48 ± 0.17 ų
• Cell temperature: 294.23 ± 0.1 K
• Ambient diffraction temperature: 294.23 ± 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: 0.0626
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No