Information card for entry 4306023

Structure parameters

• Formula: C12 H12 Cd O4 S4
• Calculated formula: C12 H12 Cd O4 S4
• Title of publication: Coordination Networks from a Bifunctional Molecule Containing Carboxyl and Thioether Groups
• Authors of publication: Xiao-Ping Zhou; Zhengtao Xu; Matthias Zeller; Allen D. Hunter; Stephen Sin-Yin Chui; Chi-Ming Che
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7459 - 7461
• a: 9.844 ± 0.002 Å
• b: 15.658 ± 0.004 Å
• c: 9.567 ± 0.002 Å
• α: 90°
• β: 92.187 ± 0.006°
• γ: 90°
• Cell volume: 1473.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0847
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.209
• Weighted residual factors for all reflections included in the refinement: 0.2167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No