Information card for entry 7714769

Structure parameters

• Formula: C142 H300 Dy12 Fe8 N40 O102
• Calculated formula: C130 H272 Dy12 Fe8 N36 O98
• Title of publication: A nested spin structure and single molecule magnet behaviour in an Fe₈Dy₁₂ heterometallic cyclic coordination cluster.
• Authors of publication: Peng, Yan; Braun, Jonas; Schulze, Michael; Kaemmerer, Hagen; Schneider, Yannik F.; Anson, Christopher E.; Wernsdorfer, Wolfgang; Powell, Annie K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 894 - 897
• a: 37.7905 ± 0.0013 Å
• b: 37.7905 ± 0.0013 Å
• c: 61.582 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 87947 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1763
• Weighted residual factors for all reflections included in the refinement: 0.1996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.576
• Diffraction radiation wavelength: 0.79942 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No