Information card for entry 7205333

Structure parameters

• Formula: C12 H16 As2 Cd3 O16 S2
• Calculated formula: C12 H16 As2 Cd3 O15.992 S1.996
• Title of publication: Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations
• Authors of publication: Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1480
• a: 12.5726 ± 0.0008 Å
• b: 13.0537 ± 0.0007 Å
• c: 14.0286 ± 0.0011 Å
• α: 90°
• β: 96.83 ± 0.005°
• γ: 90°
• Cell volume: 2286 ± 0.3 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: 0.0727
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No