Information card for entry 1561420

Structure parameters

• Formula: C26 H20 Cd2 N8 O8 S2
• Calculated formula: C26 H20 Cd2 N8 O8 S2
• Title of publication: Assembly of 4-, 6- and 8-connected Cd(II) pseudo-polymorphic coordination polymers: Synthesis, solvent-dependent structural variation and properties
• Authors of publication: Li, Zhao-Hao; Xue, Li-Ping; Miao, Shao-Bin; Zhao, Bang-Tun
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2016
• Journal volume: 240
• Pages of publication: 9 - 15
• a: 10.8492 ± 0.0007 Å
• b: 15.3928 ± 0.001 Å
• c: 19.6356 ± 0.0013 Å
• α: 90°
• β: 94.17 ± 0.001°
• γ: 90°
• Cell volume: 3270.5 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No