Information card for entry 7720027

Structure parameters

• Formula: C64 H76 Dy2 N4 Ni2 O25
• Calculated formula: C64 H76 Dy2 N4 Ni2 O25
• 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: 24.47 ± 0.005 Å
• b: 12.5293 ± 0.0019 Å
• c: 22.778 ± 0.005 Å
• α: 90°
• β: 106.826 ± 0.009°
• γ: 90°
• Cell volume: 6685 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0174
• Residual factor for significantly intense reflections: 0.0161
• Weighted residual factors for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections included in the refinement: 0.0412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No