Information card for entry 8106779

Structure parameters

• Chemical name: catena-poly[diaqua-bis(μ~2~-5-carboxy-2-(pyridin-4-yl)benzoato-κ^2^<i>O</i>:<i>N</i>)cadmium(II)] dihydrate
• Formula: C26 H24 Cd N2 O12
• Calculated formula: C26 H24 Cd N2 O12
• Title of publication: Crystal structure of catena-poly[diaqua-bis-(μ2-5-carboxy-2-(pyridin-4-yl)benzoato-κ2 O:N)cadmium(II)] dihydrate, C26H24N2O12Cd
• Authors of publication: Zhao, Yan; Guo, Dai-Jian
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 41 - 42
• a: 6.9812 ± 0.0009 Å
• b: 8.6834 ± 0.0011 Å
• c: 11.5157 ± 0.0015 Å
• α: 86.649 ± 0.001°
• β: 88.686 ± 0.001°
• γ: 85.008 ± 0.001°
• Cell volume: 694.14 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0271
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No