Information card for entry 8107128

Structure parameters

• Formula: C8 H8 Cd N6 O6 S2
• Calculated formula: C8 H8 Cd N6 O6 S2
• Title of publication: Crystal structure of poly-[diaqua-bis(μ2-2-((1H-1,2,4-triazol-5-yl)thio)acetato-κ2 N:O) cadmium(II)], C8H8CdN6O6S2
• Authors of publication: Chen, Min-Dong; Zhang, Xing; Xiao, Bo; Chen, Feng-Hua
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 4
• Pages of publication: 1153 - 1154
• a: 7.4175 ± 0.0011 Å
• b: 13.786 ± 0.002 Å
• c: 7.4934 ± 0.0011 Å
• α: 90°
• β: 93.835 ± 0.002°
• γ: 90°
• Cell volume: 764.54 ± 0.19 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: 0.0206
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No