Information card for entry 4349739

Structure parameters

• Formula: C7 Cd N3 O P S3
• Calculated formula: C7 Cd N3 O P S3
• Title of publication: Dielectric and nonlinear optical dual switching in an organic‒inorganic hybrid relaxor [(CH3)3PCH2OH][Cd(SCN)3]
• Authors of publication: Zheng, Xuan; Shi, Ping-Ping; Lu, Yang; Zhou, Lin; Gao, Ji-Xing; Geng, Fu-Juan; Wu, De-Hong; Fu, Da-Wei; Ye, Qiong
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 9
• Pages of publication: 1445
• a: 10.411 ± 0.002 Å
• b: 13.112 ± 0.003 Å
• c: 10.711 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1462.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P m c n
• Hall space group symbol: -P 2n 2a
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No