Information card for entry 7133835

Structure parameters

• Formula: C53 H55 Dy F6 N3 O5 P Si2
• Calculated formula: C53 H55 Dy F6 N3 O5 P Si2
• Title of publication: Unveiling new [1+1] Schiff-base macrocycles towards high energy-barrier hexagonal bipyramidal Dy(III) single-molecule magnets
• Authors of publication: Armenis, Alexandros; Mondal, Arpan; Giblin, Sean R.; Raptopoulou, Catherine; Psycharis, Vassilis; Alexandropoulos, Dimitris; Tang, Jinkui; Layfield, Richard; Stamatatos, Theocharis C.
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 16.895 ± 0.003 Å
• b: 14.733 ± 0.003 Å
• c: 20.76 ± 0.004 Å
• α: 90°
• β: 97.425 ± 0.007°
• γ: 90°
• Cell volume: 5124.1 ± 1.7 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No