Information card for entry 7104154

Structure parameters

• Formula: C139 H244 Cl9.5 Dy Mn18 N4.5 O75
• Calculated formula: C126 H150 Cl6.5 Dy Mn18 N4.5 O62
• Title of publication: A [Mn18Dy] SMM resulting from the targeted replacement of the central MnII in the S = 83/2 [Mn19]-aggregate with DyIII.
• Authors of publication: Ako, Ayuk M; Mereacre, Valeriu; Clérac, Rodolphe; Wernsdorfer, Wolfgang; Hewitt, Ian J; Anson, Christopher E; Powell, Annie K
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 5
• Pages of publication: 544 - 546
• a: 20.1038 ± 0.001 Å
• b: 20.1038 ± 0.001 Å
• c: 39.313 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13760.1 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1173
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No