Information card for entry 7708894

Structure parameters

• Formula: C30 H44 Dy2 N14 O2 S4
• Calculated formula: C30 H44 Dy2 N14 O2 S4
• Title of publication: Macrocycle Based Dinuclear Dysprosium(III) Single Molecule Magnets with Local D5h Coordination Geometry
• Authors of publication: Wu, Jianfeng; Demeshko, Serhiy; Dechert, Sebastian; Meyer, Franc
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 8.7415 ± 0.0004 Å
• b: 9.1291 ± 0.0004 Å
• c: 12.9791 ± 0.0005 Å
• α: 79.287 ± 0.003°
• β: 73.578 ± 0.003°
• γ: 87.499 ± 0.004°
• Cell volume: 976.15 ± 0.07 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No