Information card for entry 7211352

Structure parameters

• Formula: C20 H18 Cd2 N6 O10
• Calculated formula: C20 H18 Cd2 N6 O10
• Title of publication: Structural modulation and properties of four cadmium(ii) coordination architectures based on 3-(pyridin-4-yl)-5-(pyrazin-2-yl)-1H-1,2,4-triazole and aromatic polycarboxylate ligands
• Authors of publication: Wang, Yu-Fang; Zhuo-Li,; Sun, Yan-Chun; Zhao, Jian-She; Wang, Li-Ya
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 46
• Pages of publication: 9980
• a: 12.2094 ± 0.001 Å
• b: 10.709 ± 0.0009 Å
• c: 18.4149 ± 0.0015 Å
• α: 90°
• β: 92.646 ± 0.001°
• γ: 90°
• Cell volume: 2405.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections included in the refinement: 0.0532
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No