Information card for entry 7231355

Structure parameters

• Formula: C22 H14 Cl2 N12 O4 Zn2
• Calculated formula: C22 H14 Cl2 N12 O4 Zn2
• Title of publication: Construction of d10 metal coordination polymers based on in situ formed 3,5-di(1H-1,2,4-triazol-1-yl)benzoic acid from different precursors: influence of in situ hydrolysis reactions on assembly process
• Authors of publication: Deng, Shu-Qi; Mo, Xiao-Jing; Feng, Yin; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 37
• Pages of publication: 5531
• a: 6.0986 ± 0.001 Å
• b: 15.19 ± 0.003 Å
• c: 13.895 ± 0.002 Å
• α: 90°
• β: 100.349 ± 0.005°
• γ: 90°
• Cell volume: 1266.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No