Information card for entry 7220256

Structure parameters

• Chemical name: [Zn2(tdzdc)2(obpy)(H2O)2]n
• Formula: C9 H6 N3 O6 S Zn
• Calculated formula: C9 H6 N3 O6 S Zn
• Title of publication: Topological modulation of metal‒thiadiazole dicarboxylate coordination polymers through auxiliary ligand alteration
• Authors of publication: Zhao, Zhen-Xin; Li, Yun-Wu; Liu, Sui-Jun; Wang, Li-Fu; Chang, Ze; Xu, Jian; Zhang, Ying-Hui
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 23
• Pages of publication: 4301
• a: 14.55 ± 0.003 Å
• b: 10.115 ± 0.002 Å
• c: 7.4802 ± 0.0015 Å
• α: 90°
• β: 95.76 ± 0.03°
• γ: 90°
• Cell volume: 1095.3 ± 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: 0.0851
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1747
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No