Information card for entry 8107080

Structure parameters

• Formula: C13 H11 Cd Cl2 N O5
• Calculated formula: C13 H11 Cd Cl2 N O5
• Title of publication: Crystal structure of catena-poly[dichlorido-(μ2-4-(pyridin-4-yl)-isophthalate-κ2 O, O′)cadmium(II)] monohydrate, C13H11NO5Cl2Cd
• Authors of publication: Li, Shi-Hui; Zheng, Min
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 4
• Pages of publication: 1013 - 1014
• a: 8.036 ± 0.004 Å
• b: 7.113 ± 0.003 Å
• c: 13.556 ± 0.006 Å
• α: 90°
• β: 104.725 ± 0.005°
• γ: 90°
• Cell volume: 749.4 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0237
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No