Information card for entry 7220254

Structure parameters

• Chemical name: {[Zn2(tdzdc)2(4,4?-bipy)(H2O)2]?3H2O}n
• Formula: C18 H18 N6 O13 S2 Zn2
• Calculated formula: C18 H8 N6 O13 S2 Zn2
• 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: 34.618 ± 0.007 Å
• b: 10.056 ± 0.002 Å
• c: 7.5334 ± 0.0015 Å
• α: 90°
• β: 100.66 ± 0.03°
• γ: 90°
• Cell volume: 2577.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1021
• Residual factor for significantly intense reflections: 0.0946
• Weighted residual factors for significantly intense reflections: 0.2215
• Weighted residual factors for all reflections included in the refinement: 0.225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No