Information card for entry 1550366

Structure parameters

• Common name: Eu@C2(27)-C88 Ni(OEP)
• Chemical name: Eu@C2(27)-C88 Ni(OEP)
• Formula: C308 H156 Eu2 N12 Ni3
• Calculated formula: C307.627 H155.999 Eu2.0002 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: 24.606 ± 0.005 Å
• b: 18.08 ± 0.004 Å
• c: 22.351 ± 0.005 Å
• α: 90°
• β: 101.478 ± 0.002°
• γ: 90°
• Cell volume: 9745 ± 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: 0.126
• Residual factor for significantly intense reflections: 0.1069
• Weighted residual factors for significantly intense reflections: 0.2813
• Weighted residual factors for all reflections included in the refinement: 0.3042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.6525 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No