Information card for entry 7107951

Structure parameters

• Formula: C52 H85 Dy3 N10 O12 S4
• Calculated formula: C52 H77 Dy3 N10 O12 S4
• Title of publication: Macrocyclic ligand encapsulating dysprosium triangles: axial ligands perturbed magnetic dynamics
• Authors of publication: Shuang-Yan Lin; Yun-Nan Guo; Yang Guo; Lang Zhao; Peng Zhang; Hongshan Ke; Jinkui Tang
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 6924
• a: 16.9137 ± 0.0012 Å
• b: 16.8688 ± 0.0012 Å
• c: 29.163 ± 0.002 Å
• α: 90°
• β: 90.316 ± 0.001°
• γ: 90°
• Cell volume: 8320.5 ± 1 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1408
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.2235
• Weighted residual factors for all reflections included in the refinement: 0.2584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No