Information card for entry 7700353

Structure parameters

• Formula: C12 H24 Br8 Cd2 S4
• Calculated formula: C12 H24 Br8 Cd2 S4
• Title of publication: Above room-temperature dielectric and nonlinear optical switching materials based on [(CH₃)₃S]₂[MBr₄] (M = Cd, Mn and Zn).
• Authors of publication: Chen, Xiao-Gang; Zhang, Yao-Zu; Sun, Dong-Sheng; Gao, Ji-Xing; Hua, Xiu-Ni; Liao, Wei-Qiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 30
• Pages of publication: 11292 - 11297
• a: 12.547 ± 0.003 Å
• b: 8.969 ± 0.002 Å
• c: 16.063 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1807.6 ± 0.7 ų
• Cell temperature: 343 ± 2 K
• Ambient diffraction temperature: 343 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.4107
• Residual factor for significantly intense reflections: 0.1569
• Weighted residual factors for significantly intense reflections: 0.3941
• Weighted residual factors for all reflections included in the refinement: 0.5185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No