Information card for entry 7709226

Structure parameters

• Formula: C74 H62 Dy0.14 O14 Y1.86
• Calculated formula: C74 H62 Dy0.138 O14 Y1.862
• Title of publication: A nonsymmetric Dy₂ single-molecule magnet with two relaxation processes triggered by an external magnetic field: a theoretical and integrated EPR study of the role of magnetic-site dilution.
• Authors of publication: Lalioti, Nikolia; Nastopoulos, Vassilis; Panagiotou, Nikos; Tasiopoulos, Anastasios; Ioannidis, Nikolaos; van Slageren, Joris; Zhang, Peng; Rajaraman, Gopalan; Swain, Abinash; Tangoulis, Vassilis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 1985 - 1994
• a: 11.1868 ± 0.0004 Å
• b: 16.0404 ± 0.0006 Å
• c: 18.662 ± 0.0006 Å
• α: 78.186 ± 0.003°
• β: 75.862 ± 0.003°
• γ: 72.605 ± 0.003°
• Cell volume: 3067.2 ± 0.2 ų
• Cell temperature: 107.7 ± 0.6 K
• Ambient diffraction temperature: 107.7 ± 0.6 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No