Information card for entry 7710006

Structure parameters

• Formula: C6 H24 N6 Ni O4 S
• Calculated formula: C6 H24 N6 Ni O4 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: 8.8526 ± 0.0004 Å
• b: 8.8526 ± 0.0004 Å
• c: 9.6749 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 656.63 ± 0.05 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No