Information card for entry 7200549

Structure parameters

• Formula: C4 H16 Cd2 Cl6 N2 O2
• Calculated formula: C4 H12 Cd2 Cl6 N2 O2
• Title of publication: Organically templated chained chlorocadmates and cadmium-chloro thiocyanates
• Authors of publication: Yu, Jie-Hui; Wang, Xu-Mei; Ye, Ling; Hou, Qin; Yang, Qing-Feng; Xu, Ji-Qing
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 1037
• a: 6.803 ± 0.003 Å
• b: 11.084 ± 0.005 Å
• c: 10.664 ± 0.005 Å
• α: 90°
• β: 107.066 ± 0.004°
• γ: 90°
• Cell volume: 768.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0342
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No