Information card for entry 7210693

Structure parameters

• Formula: C51 H46 Cd2 N6 O8 S2
• Calculated formula: C51 H46 Cd2 N6 O8 S2
• Title of publication: Bis(pyridyl) ancillary ligands modulated uninodal 4-, 5- and 6-connected Cd(ii) coordination polymers based on 3,4-thiophenedicarboxylate linker
• Authors of publication: Li, Zhao-Hao; Xue, Li-Ping; Li, Shi-Hui; Wang, Jian-Ge; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 14
• Pages of publication: 2745
• a: 13.6833 ± 0.0019 Å
• b: 10.995 ± 0.0016 Å
• c: 16.252 ± 0.002 Å
• α: 90°
• β: 92.354 ± 0.002°
• γ: 90°
• Cell volume: 2443 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1367
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No