Information card for entry 2021329

Structure parameters

• Chemical name: Poly[[[μ-1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene-κ^2^<i>N</i>:<i>N</i>'](μ-1,3-phenylenediacetato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''')cadmium(II)] dihydrate]
• Formula: C24 H26 Cd N4 O6
• Calculated formula: C24 H26 Cd N4 O6
• Title of publication: A new two-dimensional Cd^II^ coordination polymer based on 1,3-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene and 1,3-phenylenediacetic acid: synthesis, crystal structure and physical properties
• Authors of publication: Chen, Ning-Ning; Ni, Jian-Ning; Wang, Jun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 12
• a: 9.643 ± 0.008 Å
• b: 10.934 ± 0.009 Å
• c: 11.787 ± 0.009 Å
• α: 95.776 ± 0.015°
• β: 94.925 ± 0.016°
• γ: 91.207 ± 0.017°
• Cell volume: 1231.4 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes