Information card for entry 7133715

Structure parameters

• Formula: C110 H90 Dy2 F18 Fe1.2 N22 O30 Ru0.8 S6
• Calculated formula: C110 H90 Dy2 F18 Fe1.2 N22 O30 Ru0.8 S6
• Title of publication: Making soluble Dy₂ single-molecule magnets red emissive through their functionalization by ruthenium-cyanido luminophores.
• Authors of publication: Liberka, Michal; Chorazy, Szymon
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 80
• Pages of publication: 11351 - 11354
• a: 12.7322 ± 0.0012 Å
• b: 14.8109 ± 0.0013 Å
• c: 18.7471 ± 0.0016 Å
• α: 66.821 ± 0.003°
• β: 83.203 ± 0.003°
• γ: 71.337 ± 0.003°
• Cell volume: 3078.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No