Information card for entry 7231353

Structure parameters

• Formula: C22 H14 N12 O4 Zn
• Calculated formula: C22 H14 N12 O4 Zn
• 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: 10.1548 ± 0.0004 Å
• b: 10.837 ± 0.0004 Å
• c: 12.2962 ± 0.0005 Å
• α: 91.796 ± 0.001°
• β: 98.909 ± 0.001°
• γ: 112.907 ± 0.001°
• Cell volume: 1225.16 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0352
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No