Information card for entry 2020942

Structure parameters

• Chemical name: <i>catena</i>-Poly[diaqua[μ~4~-2,5-bis(1<i>H</i>-1,2,4-triazol-1-yl)terephthalato-κ^4^<i>O</i>^1^:<i>O</i>^4^:<i>N</i>^4^:<i>N</i>^4'^]cadmium(II)]
• Formula: C12 H10 Cd N6 O6
• Calculated formula: C12 H10 Cd N6 O6
• Title of publication: Synthesis, crystal structure and characterization of a three-dimensional Cd^II^ coordination polymer constructed from 2,5-bis(1<i>H</i>-1,2,4-triazol-1-yl)terephthalate
• Authors of publication: Meng, Li; Zhu, Miao-Li; Lu, Li-Ping
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 2
• a: 20.0932 ± 0.0009 Å
• b: 7.1128 ± 0.0003 Å
• c: 10.4548 ± 0.0004 Å
• α: 90°
• β: 96.857 ± 0.001°
• γ: 90°
• Cell volume: 1483.5 ± 0.11 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: 0.0172
• Residual factor for significantly intense reflections: 0.0156
• Weighted residual factors for significantly intense reflections: 0.0379
• Weighted residual factors for all reflections included in the refinement: 0.0386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes