Information card for entry 7708891

Structure parameters

• Formula: C72 H102 Cl4 Dy4 N18 O32
• Calculated formula: C72 H102 Cl4 Dy4 N18 O32
• 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: 14.032 ± 0.0002 Å
• b: 16.194 ± 0.0003 Å
• c: 25.7815 ± 0.0004 Å
• α: 90°
• β: 96.454 ± 0.001°
• γ: 90°
• Cell volume: 5821.31 ± 0.16 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No