Information card for entry 7131463

Structure parameters

• Formula: C66 H41 B2 F25 N11 Y
• Calculated formula: C66 H41 B2 F25 N11 Y
• Title of publication: A photochromic metallacycle with highly anisotropic Dy-F magnetic units.
• Authors of publication: El Beyrouti, Nour; Houard, Felix; Cordier, Marie; Trzop, Elzbieta; Rigaut, Stéphane; Le Guennic, Boris; Bernot, Kevin; Norel, Lucie
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 35
• Pages of publication: 5265 - 5268
• a: 17.866 ± 0.0007 Å
• b: 22.3348 ± 0.0008 Å
• c: 16.6191 ± 0.0006 Å
• α: 90°
• β: 91.516 ± 0.002°
• γ: 90°
• Cell volume: 6629.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1036
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No