Information card for entry 7218569

Structure parameters

• Formula: C50 H28 Cd4 N21 O14
• Calculated formula: C50 H27 Cd4 N21 O14
• Title of publication: Five novel Zn(ii)/Cd(ii) coordination polymers based on bis(pyrazinyl)-triazole and varied polycarboxylates: syntheses, topologies and photoluminescence
• Authors of publication: Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Qian, Jin-Jie; Su, Kong-Zhao; Wan, Xiu-Yan; Hong, Mao-Chun
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 48
• Pages of publication: 11078
• a: 25.901 ± 0.006 Å
• b: 12.953 ± 0.003 Å
• c: 36.822 ± 0.008 Å
• α: 90°
• β: 110.234 ± 0.003°
• γ: 90°
• Cell volume: 11591 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0562
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No