Information card for entry 7223568

Structure parameters

• Formula: C67 H81 Cd4 Cl N18 O27
• Calculated formula: C67 H79 Cd4 Cl N18 O27
• Title of publication: Syntheses, structures and luminescence of a series of coordination polymers constructed with 4-substituted 1,2,4-triazole and biscarboxylate co-ligands
• Authors of publication: Han, Shan-Shan; Shi, Lu-Lu; Li, Ke; Zhao, Shan; Li, Bao-Long; Wu, Bing
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 129
• Pages of publication: 107166
• a: 24.5296 ± 0.0006 Å
• b: 19.2262 ± 0.0006 Å
• c: 16.5962 ± 0.0004 Å
• α: 90°
• β: 94.361 ± 0.003°
• γ: 90°
• Cell volume: 7804.3 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No