Information card for entry 7211353

Structure parameters

• Formula: C32 H28 Cd3 N12 O14
• Calculated formula: C32 H28 Cd3 N12 O14
• 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: 8.1335 ± 0.0019 Å
• b: 16.014 ± 0.004 Å
• c: 16.343 ± 0.004 Å
• α: 62.282 ± 0.002°
• β: 87.655 ± 0.002°
• γ: 87.504 ± 0.002°
• Cell volume: 1882.1 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0239
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No