Information card for entry 1550367

Structure parameters

• Common name: Eu@C1(7)-C86 Ni(OEP)
• Chemical name: Eu@C1(7)-C86 Ni(OEP)
• Formula: C280 H132 Eu2 N12 Ni3
• Calculated formula: C280 H132 Eu2 N12 Ni3
• Title of publication: Crystallographic identification of Eu@C2n (2n = 88, 86 and 84): completing a transformation map for existing metallofullerenes
• Authors of publication: Bao, Lipiao; Yu, Pengyuan; Pan, Changwang; Shen, Wangqiang; Lu, Xing
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 24.307 ± 0.005 Å
• b: 18.191 ± 0.005 Å
• c: 22.087 ± 0.006 Å
• α: 90°
• β: 100.995 ± 0.003°
• γ: 90°
• Cell volume: 9587 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1766
• Residual factor for significantly intense reflections: 0.1407
• Weighted residual factors for significantly intense reflections: 0.2961
• Weighted residual factors for all reflections included in the refinement: 0.315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.6525 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No