Information card for entry 7710002

Structure parameters

• Formula: C6 H24 N6 Ni O4 S0.98
• Calculated formula: C6 H24 N6 Ni O3.9996 S0.981
• 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: 8.9389 ± 0.0005 Å
• b: 8.9389 ± 0.0005 Å
• c: 9.6152 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 665.36 ± 0.06 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: 0.0318
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No