Information card for entry 7124677

Structure parameters

• Formula: C42 H76 Cl3 Dy O35
• Calculated formula: C42 H76 Cl3 Dy O35
• Title of publication: Encapsulation of a [Dy(OH2)8](3+) cation: magneto-optical and theoretical studies of a caged, emissive SMM.
• Authors of publication: Al Hareri, M.; Gavey, E. L.; Regier, J.; Ras Ali, Z.; Carlos, L. D.; Ferreira, R. A. S.; Pilkington, M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 76
• Pages of publication: 11335 - 11338
• a: 12.741 ± 0.003 Å
• b: 13.235 ± 0.004 Å
• c: 17.923 ± 0.004 Å
• α: 89.94 ± 0.01°
• β: 85.741 ± 0.01°
• γ: 86.594 ± 0.011°
• Cell volume: 3008.6 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.173
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No