Information card for entry 1561421

Structure parameters

• Formula: C16 H17 Cd N5 O5 S
• Calculated formula: C16 H17 Cd N5 O5 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: 9.5095 ± 0.0014 Å
• b: 19.84 ± 0.003 Å
• c: 21.035 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3968.6 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No