Information card for entry 7233601

Structure parameters

• Formula: C8 H12 Cd Hg N4 O2 S6
• Calculated formula: C8 H12 Cd Hg N4 O2 S6
• Title of publication: Characterization and strong piezoelectric response of an organometallic nonlinear optical crystal: CdHg(SCN)4(C2H6SO)2
• Authors of publication: Xitao Liu; Xinqiang Wang; Xin Yin; Shaojun Zhang; Lei Wang; Luyi Zhu; Guanghui Zhang; Dong Xu
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 723 - 730
• a: 8.5286 ± 0.0001 Å
• b: 8.5521 ± 0.0002 Å
• c: 28.2714 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2062.04 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0563
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 0.876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No