Information card for entry 7131461

Structure parameters

• Formula: C162 H94 B4 Dy2 F62 N22 S4
• Calculated formula: C162 H94 B4 Dy2 F61.994 N22 S4
• 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: 16.4364 ± 0.0009 Å
• b: 16.9248 ± 0.0011 Å
• c: 17.7462 ± 0.0011 Å
• α: 85.374 ± 0.002°
• β: 66.379 ± 0.002°
• γ: 67.884 ± 0.002°
• Cell volume: 4175.9 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No