Information card for entry 7047237

Structure parameters

• Formula: C54 H31 Cl3 Dy F9 N2 O6
• Calculated formula: C54 H31 Cl3 Dy F9 N2 O6
• Title of publication: The slow magnetic relaxation regulated by the coordination, configuration and intermolecular dipolar field in two mononuclear Dy^III single-molecule magnets (SMMs).
• Authors of publication: Zhang, Sheng; Mo, Wenjiao; Yin, Bing; Zhang, Gaini; Yang, Desuo; Lü, Xingqiang; Chen, Sanping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 35
• Pages of publication: 12393 - 12405
• a: 22.8133 ± 0.0014 Å
• b: 17.1518 ± 0.0017 Å
• c: 13.2046 ± 0.0009 Å
• α: 90°
• β: 98.3 ± 0.007°
• γ: 90°
• Cell volume: 5112.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1428
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1756
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No