Information card for entry 7231354

Structure parameters

• Formula: C11 H7 N7 O5 Zn
• Calculated formula: C11 H7 N7 O5 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: 10.713 ± 0.003 Å
• b: 6.9055 ± 0.0016 Å
• c: 18.844 ± 0.004 Å
• α: 90°
• β: 100.097 ± 0.004°
• γ: 90°
• Cell volume: 1372.5 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No