Information card for entry 7033806

Structure parameters

• Formula: C12 H10 Cd Cl2 N6 S2
• Calculated formula: C12 H10 Cd Cl2 N6 S2
• Title of publication: New 1-D and 3-D thiocyanatocadmates modified by various amine molecules and Cl(-)/CH3COO(-) ions: synthesis, structural characterization, thermal behavior and photoluminescence properties.
• Authors of publication: Guo, Bing; Zhang, Xiao; Wang, Yan-Ning; Huang, Jing-Jing; Yu, Jie-Hui; Xu, Ji-Qing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 11
• Pages of publication: 5095 - 5105
• a: 14.1335 ± 0.0009 Å
• b: 3.9687 ± 0.0003 Å
• c: 17.0383 ± 0.0012 Å
• α: 90°
• β: 117.486 ± 0.004°
• γ: 90°
• Cell volume: 847.83 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0202
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No