Information card for entry 7710005

Structure parameters

• Formula: C6 H24 Cd N6 O4 S
• Calculated formula: C6 H24 Cd N6 O3.9996 S
• Title of publication: A series of dynamic single crystals of [MII(en)3]SO4 (M = Ni , Mn, Cd) shows tunable dielectric property and anisotropic thermal expansion
• Authors of publication: Wu, Cong; Gao, Kaige; Yao, Zi-Shuo; Tao, Jun
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 9.1957 ± 0.0003 Å
• b: 9.1957 ± 0.0003 Å
• c: 9.5096 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 696.41 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No