Information card for entry 7035145

Structure parameters

• Formula: C10 H12 Cd Cl0 N4 O2 S2
• Calculated formula: C10 H12 Cd N4 O2 S2
• Title of publication: New organically templated thiocyanatocadmates and chlorocuprate(ii): synthesis and structural characterization.
• Authors of publication: Guo, Bing; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 25
• Pages of publication: 11470 - 11481
• a: 11.1025 ± 0.0007 Å
• b: 10.9745 ± 0.0005 Å
• c: 12.9968 ± 0.0006 Å
• α: 90°
• β: 103.624 ± 0.004°
• γ: 90°
• Cell volume: 1539.03 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0296
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No