Information card for entry 1550899

Structure parameters

• Formula: C72 H78 Al2 Dy0.18 N6 O18 Y1.82
• Calculated formula: C72 H78 Al2 Dy0.18 N6 O18 Y1.82
• Title of publication: Mechanism of Magnetization Relaxation in {MIII2DyIII2} (M = Cr, Mn, Fe, Al) “Butterfly” Complexes: How Important Are the Transition Metal Ions Here?
• Authors of publication: Peng, Yan; Singh, Mukesh Kumar; Mereacre, Valeriu; Anson, Christopher; Rajaraman, Gopalan; Powell, Annie K.
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 27.5982 ± 0.0003 Å
• b: 10.68 ± 0.0002 Å
• c: 24.4179 ± 0.0003 Å
• α: 90°
• β: 94.202 ± 0.001°
• γ: 90°
• Cell volume: 7177.8 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0322
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No