Information card for entry 1561419

Structure parameters

• Formula: C13 H10 Cd N4 O4 S
• Calculated formula: C13 H10 Cd N4 O4 S
• 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: 10.362 ± 0.012 Å
• b: 9.039 ± 0.01 Å
• c: 17.887 ± 0.017 Å
• α: 90°
• β: 115.79 ± 0.05°
• γ: 90°
• Cell volume: 1508 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0981
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No