Information card for entry 7220255

Structure parameters

• Chemical name: {[Co(tdzdc)(bpp)(H2O)]?3H2O}n
• Formula: C17 H20 Co N4 O8 S
• Calculated formula: C17 H14 Co N4 O8 S
• 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: 14.944 ± 0.003 Å
• b: 16.94 ± 0.003 Å
• c: 10.384 ± 0.002 Å
• α: 90°
• β: 123.74 ± 0.03°
• γ: 90°
• Cell volume: 2186 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No