Information card for entry 7021585

Structure parameters

• Formula: C53 H76 Cl2 Dy3 N5 O29
• Calculated formula: C53 H68 Cl2 Dy3 N5 O29
• Title of publication: A triangular dysprosium with asymmetric central caps featuring ferromagnetic coupling and single-molecule magnet behaviour.
• Authors of publication: Shen, Si; Xue, Shufang; Lin, Shuang-Yan; Zhao, Lang; Tang, Jinkui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 29
• Pages of publication: 10413 - 10416
• a: 26.076 ± 0.002 Å
• b: 14.2392 ± 0.0011 Å
• c: 22.762 ± 0.003 Å
• α: 90°
• β: 122.822 ± 0.001°
• γ: 90°
• Cell volume: 7102.3 ± 1.2 ų
• Cell temperature: 191 ± 2 K
• Ambient diffraction temperature: 191 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No