Information card for entry 7220257

Structure parameters

• Chemical name: [Zn(tdzdc)(tmb)]n
• Formula: C16 H12 N8 O4 S Zn
• Calculated formula: C16 H12 N8 O4 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: 10.772 ± 0.002 Å
• b: 18.039 ± 0.004 Å
• c: 18.646 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3623.2 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No