Information card for entry 4333511

Structure parameters

• Formula: C181 H103 N8 Ni2 Tm
• Calculated formula: C171.6 H103 N8 Ni2 Tm
• Title of publication: Isolation and Structural Characterization of Two Very Large, and Largely Empty, Endohedral Fullerenes: Tm@C3v-C94and Ca@C3v-C94
• Authors of publication: Che, Yuliang; Yang, Hua; Wang, Zhimin; Jin, Hongxiao; Liu, Ziyang; Lu, Chunxin; Zuo, Tianming; Dorn, Harry C.; Beavers, Christine M.; Olmstead, Marilyn M.; Balch, Alan L.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Journal issue: 13
• Pages of publication: 6004 - 6010
• a: 25.672 ± 0.004 Å
• b: 25.672 ± 0.004 Å
• c: 69.62 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 45883 ± 17 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.111
• Residual factor for significantly intense reflections: 0.0934
• Weighted residual factors for significantly intense reflections: 0.236
• Weighted residual factors for all reflections included in the refinement: 0.2539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No