Information card for entry 2020931

Structure parameters

• Chemical name: Poly[[(μ~3~-5-carboxybenzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3^)[μ-<i>trans</i>-1-(pyridin-3-yl)-2-(pyridin-4-yl)ethene-κ^4^<i>N</i>:<i>N</i>']cadmium(II)] monohydrate]
• Formula: C21 H16 Cd N2 O7
• Calculated formula: C21 H16 Cd N2 O7
• Title of publication: Construction and photocatalytic properties of two metal-mediated coordination polymers based on benzene-1,3,5-tricarboxylic acid and <i>trans</i>-1-(pyridin-3-yl)-2-(pyridin-4-yl)ethene
• Authors of publication: Chen, Jing-Min; Zhou, Qian-Kun; Hou, Yi-Xuan; Liu, Dong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 11
• Pages of publication: 1017 - 1023
• a: 9.4176 ± 0.0019 Å
• b: 9.861 ± 0.002 Å
• c: 12.269 ± 0.003 Å
• α: 91.11 ± 0.03°
• β: 103.34 ± 0.03°
• γ: 117.23 ± 0.03°
• Cell volume: 975.4 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0213
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes