Information card for entry 4349740

Structure parameters

• Formula: C14 H24 Cd2 N6 O2 P2 S6
• Calculated formula: C14 H24 Cd2 N6 O2 P2 S6
• 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: 10.395 ± 0.006 Å
• b: 13.176 ± 0.007 Å
• c: 10.742 ± 0.004 Å
• α: 90°
• β: 92.12 ± 0.04°
• γ: 90°
• Cell volume: 1470.3 ± 1.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1377
• Residual factor for significantly intense reflections: 0.098
• Weighted residual factors for significantly intense reflections: 0.2511
• Weighted residual factors for all reflections included in the refinement: 0.2945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No