Information card for entry 7122310

Structure parameters

• Formula: C60 H58 Dy2 Fe2 N20 O8 S4
• Calculated formula: C60 H58 Dy2 Fe2 N20 O8 S4
• Title of publication: Cyclic OFF/Part/ON switching of single-molecule magnet behaviours via multistep single-crystal-to-single-crystal transformation between discrete Fe(ii)-Dy(iii) complexes.
• Authors of publication: Chen, Wen-Bin; Chen, Yan-Cong; Huang, Guo-Zhang; Liu, Jun-Liang; Jia, Jian-Hua; Tong, Ming-Liang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 77
• Pages of publication: 10886 - 10889
• a: 14.4632 ± 0.0012 Å
• b: 15.3659 ± 0.0013 Å
• c: 15.8216 ± 0.0013 Å
• α: 89.095 ± 0.003°
• β: 83.157 ± 0.003°
• γ: 85.417 ± 0.003°
• Cell volume: 3479.9 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.125
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.1824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No