Information card for entry 7700352

Structure parameters

• Formula: C6 H18 Br4 Mn S2
• Calculated formula: C6 H18 Br4 Mn S2
• 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: 9.0416 ± 0.0003 Å
• b: 13.1334 ± 0.0006 Å
• c: 14.2839 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1696.17 ± 0.12 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No