Information card for entry 1546438

Structure parameters

• Common name: Dy2S@C3v(8)-C82/Ni(OEP)/2(C7H8)
• Chemical name: Dy2S@C3v(8)-C82/Ni(OEP)/2(C7H8)
• Formula: C132 H60 Dy2 N4 Ni S
• Calculated formula: C132 H60 Dy2 N4 Ni S0.999
• Title of publication: Selective arc-discharge synthesis of Dy2S-clusterfullerenes and their isomer-dependent single molecule magnetism
• Authors of publication: Chen, Chia-Hsiang; Krylov, Denis; Avdoshenko, Stanislav; Liu, Fupin; Spree, Lukas; Yadav, Ravi; Alvertis, Antonis; Hozoi, Liviu; Nenkov, Konstantin; Kostanyan, Aram; Greber, Thomas; Wolter, A.; Popov, Alexey A.
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 25.25 ± 0.005 Å
• b: 14.86 ± 0.003 Å
• c: 20.46 ± 0.004 Å
• α: 90°
• β: 97.74 ± 0.03°
• γ: 90°
• Cell volume: 7607 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.234
• Residual factor for significantly intense reflections: 0.163
• Weighted residual factors for significantly intense reflections: 0.4063
• Weighted residual factors for all reflections included in the refinement: 0.4406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.89429 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No