Information card for entry 2019397

Structure parameters

• Chemical name: Poly[[bis(μ~3~-cyclohexane-1,3,5-tricarboxylato)bis[μ~3~-1,3,5-tris(imidazol-1-ylmethyl)benzene]trizinc(II)] hexahydrate]
• Formula: C54 H66 N12 O18 Zn3
• Calculated formula: C54 H66 N12 O18 Zn3
• Title of publication: A novel three-dimensional Zn^II^ coordination polymer with 1,3,5-tris(imidazol-1-ylmethyl)benzene and cyclohexane-1,3,5-tricarboxylate ligands
• Authors of publication: Zhong, Kai-Long
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: 189 - 193
• a: 25.3826 ± 0.0008 Å
• b: 18.3013 ± 0.0005 Å
• c: 15.0344 ± 0.0005 Å
• α: 90°
• β: 122.244 ± 0.001°
• γ: 90°
• Cell volume: 5907 ± 0.3 ų
• Cell temperature: 223.15 K
• Ambient diffraction temperature: 223.15 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: 0.0487
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes