Information card for entry 1551874

Structure parameters

• Common name: Gd2C2@C84.Ni(OEP).1.75toluene.0.25benzene
• Formula: C135.75 H59.5 Gd2 N4 Ni
• Calculated formula: C135.75 H59.5 Gd2 N4 Ni
• Title of publication: A missing link in the transformation from asymmetric to symmetric metallofullerene cages implies a top-down fullerene formation mechanism
• Authors of publication: Jianyuan Zhang; Faye L. Bowles; Daniel W. Bearden; W. Keith Ray; Tim Fuhrer; Youqing Ye; Caitlyn Dixon; Kim Harich; Richard F. Helm; Marilyn M. Olmstead; Alan L. Balch; Harry C. Dorn
• Journal of publication: Nature Chemistry
• Year of publication: 2013
• Journal volume: 5
• Pages of publication: 880 - 885
• a: 20.4825 ± 0.0007 Å
• b: 14.8334 ± 0.0005 Å
• c: 25.3877 ± 0.0009 Å
• α: 90°
• β: 96.261 ± 0.002°
• γ: 90°
• Cell volume: 7667.4 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1632
• Residual factor for significantly intense reflections: 0.1154
• Weighted residual factors for significantly intense reflections: 0.3045
• Weighted residual factors for all reflections included in the refinement: 0.3286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.821
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No