Information card for entry 7720026

Structure parameters

• Formula: C76 H80 Dy2 N6 Ni2 O18
• Calculated formula: C76 H80 Dy2 N6 Ni2 O18
• Title of publication: Magneto-structural and theoretical insights into Ni2Dy2 butterfly single-molecule magnets with diverse anionic co-ligands
• Authors of publication: Panja, Anangamohan; Jaglicic, Zvonko; Aravena, Daniel; Jana, Narayan Ch.; Brandão, Paula
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 11.1086 ± 0.0003 Å
• b: 12.5027 ± 0.0002 Å
• c: 14.5057 ± 0.0003 Å
• α: 65.386 ± 0.002°
• β: 88.71 ± 0.002°
• γ: 80.896 ± 0.002°
• Cell volume: 1806.41 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100.15 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: 0.0447
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No