Information card for entry 7708358

Structure parameters

• Chemical name: Dy2(HL)2(SCN)2].2CH3CN-(1)
• Formula: C76 H74 Dy2 N12 O6 S2
• Calculated formula: C76 H74 Dy2 N12 O6 S2
• Title of publication: Coordination anion effects on the geometry and magnetic interaction of binuclear Dy2 single-molecule magnets
• Authors of publication: Wu, Jinjiang; Li, Xiao-Lei; La Droitte, Léo; Cador, Olivier; Le Guennic, Boris; Tang, Jinkui
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 11.6924 ± 0.0004 Å
• b: 12.8898 ± 0.0004 Å
• c: 13.8753 ± 0.0004 Å
• α: 96.547 ± 0.001°
• β: 100.241 ± 0.001°
• γ: 113.931 ± 0.001°
• Cell volume: 1840.25 ± 0.1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No