Information card for entry 4133892

Structure parameters

• Formula: C49 H35 B Dy F13 N11 P S2
• Calculated formula: C49 H35 B Dy F13 N11 P S2
• Title of publication: Hysteresis Photomodulation via Single-Crystal-to-Single-Crystal Isomerization of a Photochromic Chain of Dysprosium Single-Molecule Magnets.
• Authors of publication: Hojorat, Maher; Al Sabea, Hassan; Norel, Lucie; Bernot, Kevin; Roisnel, Thierry; Gendron, Frederic; Le Guennic, Boris; Trzop, Elzbieta; Collet, Eric; Long, Jeffrey R.; Rigaut, Stéphane
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 12.8317 ± 0.0004 Å
• b: 36.498 ± 0.0009 Å
• c: 16.7295 ± 0.0005 Å
• α: 90°
• β: 105.66 ± 0.003°
• γ: 90°
• Cell volume: 7544.1 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 8
• 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: 0.1294
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1591
• Weighted residual factors for all reflections included in the refinement: 0.1953
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No