Information card for entry 7123360

Structure parameters

• Formula: C34 H42 Dy F7 N8 O7 S2
• Calculated formula: C34 H42 Dy F7 N8 O7 S2
• Title of publication: Boosting axiality in stable high-coordinate Dy(III) single-molecule magnets
• Authors of publication: Murrie, Mark; Canaj, Angelos; Singh, Mukesh Kumar; Regincós Martí, Emma; Damjanovic, Marko; Wilson, Claire; Cespedes, Oscar; Wernsdorfer, Wolfgang; Rajaraman, Gopalan
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 11.3416 ± 0.0005 Å
• b: 21.5398 ± 0.0008 Å
• c: 7.7573 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1895.08 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0227
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections included in the refinement: 0.0485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No