Information card for entry 7705809

Structure parameters

• Formula: C31 H21 Er N11 S3
• Calculated formula: C31 H20 Er N10 S3
• Title of publication: Control of magnetic anisotropy by macrocyclic ligand distortion in a family of Dy^III and Er^III single molecule magnets.
• Authors of publication: Gil, Yolimar; Fuentealba, Pablo; Vega, Andrés; Spodine, Evgenia; Aravena, Daniel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 48
• Pages of publication: 17709 - 17718
• a: 22.426 ± 0.008 Å
• b: 8.327 ± 0.003 Å
• c: 18.47 ± 0.007 Å
• α: 90°
• β: 108.591 ± 0.005°
• γ: 90°
• Cell volume: 3269 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0964
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No