Information card for entry 7123362

Structure parameters

• Formula: C34 H42 F7 La N8 O7 S2
• Calculated formula: C34 H42 F7 La 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: 21.592 ± 0.003 Å
• b: 11.4165 ± 0.001 Å
• c: 15.9216 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3924.8 ± 0.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No