Information card for entry 7125696

Structure parameters

• Formula: C39 H58 Dy N5 O1.5 S4
• Calculated formula: C39 H58 Dy N5 O1.5 S4
• Title of publication: There is nothing wrong with being soft: using sulfur ligands to increase axiality in a Dy(iii) single-ion magnet.
• Authors of publication: Canaj, Angelos B.; Dey, Sourav; Céspedes, Oscar; Wilson, Claire; Rajaraman, Gopalan; Murrie, Mark
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 1533 - 1536
• a: 16.426 ± 0.0008 Å
• b: 14.4027 ± 0.0007 Å
• c: 20.5958 ± 0.0009 Å
• α: 90°
• β: 111.107 ± 0.002°
• γ: 90°
• Cell volume: 4545.6 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0267
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No