Information card for entry 1550948

Structure parameters

• Common name: Eu@C2(13)-C80 Ni(OEP)
• Chemical name: Eu@C2(13)-C80 Ni(OEP)
• Formula: C130.05 H53.66 Eu N4 Ni S0.78
• Calculated formula: C130.05 H53.66 Eu1.0002 N4 Ni S0.78
• Title of publication: Highly regioselective complexation of tungsten with Eu@C82/Eu@C84: interplay between endohedral and exohedral metallic units induced by electron transfer
• Authors of publication: Lu, Xing; Bao, Lipiao; Yu, Pengyuan; Li, Ying; Pan, Changwang; Shen, Wangqiang; Jin, Peng; Liang, Shuquan
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 25.3346 ± 0.0008 Å
• b: 15.1339 ± 0.0005 Å
• c: 19.9751 ± 0.0006 Å
• α: 90°
• β: 95.659 ± 0.001°
• γ: 90°
• Cell volume: 7621.4 ± 0.4 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: 0.0945
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.2217
• Weighted residual factors for all reflections included in the refinement: 0.2284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.6525 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No