Information card for entry 2018028

Structure parameters

• Chemical name: poly[[(μ~2~-benzene-1,4-dicarboxylato){μ~2~-1,2-bis[2-(1<i>H</i>-1,3- imidazol-1-ylmethyl)phenoxy]ethane}cadmium(II)] dihydrate]
• Formula: C30 H30 Cd N4 O8
• Calculated formula: C30 H30 Cd N4 O8
• Title of publication: Two threefold interpenetrated two-dimensional frameworks based on a flexible imidazole-containing ligand and benzene-1,4-dicarboxylate
• Authors of publication: Yuan, Ning-Ning; Liu, Qi-Kui; Ma, Jian-Ping; Huang, Ru-Qi; Dong, Yu-Bin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m119 - m122
• a: 17.45 ± 0.01 Å
• b: 15.48 ± 0.008 Å
• c: 12.636 ± 0.007 Å
• α: 90°
• β: 118.545 ± 0.007°
• γ: 90°
• Cell volume: 2998 ± 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: 0.0628
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes