Information card for entry 7223182

Structure parameters

• Formula: C58.5 H54.5 Cd5 Cl4 N19.5 O17.5
• Calculated formula: C58.5 H46.5 Cd5 Cl4 N19.5 O17.5
• Title of publication: A series of Zn(ii) and Cd(ii) coordination compounds based on 4-(4H-1,2,4-triazol-4-yl)benzoic acid: synthesis, structure and photoluminescence properties
• Authors of publication: Yang, Li-Bo; Wang, Hong-Can; Fang, Xiao-Dan; Chen, Si-Jin; Xu, Quan-Qing; Zhu, Ai-Xin; Yang, Zhi
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 1
• Pages of publication: 130
• a: 12.946 ± 0.003 Å
• b: 17.321 ± 0.003 Å
• c: 22.153 ± 0.004 Å
• α: 70.13 ± 0.03°
• β: 76.08 ± 0.03°
• γ: 73.31 ± 0.03°
• Cell volume: 4418.3 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No