Information card for entry 4342401

Structure parameters

• Common name: Sm@C2v(9)-C82/NiOEP/0.87(bz)0.13(CF)
• Formula: C123.3 H49.3 Cl0.42 N4 Ni Sm
• Calculated formula: C123.473 H49.472 Cl0.396 N4 Ni Sm1.002
• Title of publication: Popular C82 Fullerene Cage Encapsulating a Divalent Metal Ion Sm(2+): Structure and Electrochemistry.
• Authors of publication: Hu, Ziqi; Hao, Yajuan; Slanina, Zdeněk; Gu, Zhenggen; Shi, Zujin; Uhlík, Filip; Zhao, Yunfeng; Feng, Lai
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 2103
• a: 25.328 ± 0.0018 Å
• b: 15.1696 ± 0.0011 Å
• c: 19.7982 ± 0.0014 Å
• α: 90°
• β: 95.052 ± 0.001°
• γ: 90°
• Cell volume: 7577.2 ± 0.9 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.1278
• Residual factor for significantly intense reflections: 0.1177
• Weighted residual factors for significantly intense reflections: 0.3804
• Weighted residual factors for all reflections included in the refinement: 0.3966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No