Information card for entry 4110382

Structure parameters

• Formula: C110 H40 La2 N
• Calculated formula: C110 H40 La1.9816 N
• Title of publication: Synthesis and Structural Characterization of Endohedral Pyrrolidinodimetallofullerene: La2@C80(CH2)2NTrt
• Authors of publication: Michio Yamada; Takatsugu Wakahara; Tsukasa Nakahodo; Takahiro Tsuchiya; Yutaka Maeda; Takeshi Akasaka; Kenji Yoza; Ernst Horn; Naomi Mizorogi; Shigeru Nagase
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 1402 - 1403
• a: 11.0097 ± 0.0011 Å
• b: 16.4849 ± 0.0016 Å
• c: 18.5435 ± 0.0018 Å
• α: 100.151 ± 0.001°
• β: 104.682 ± 0.001°
• γ: 103.956 ± 0.001°
• Cell volume: 3056.9 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.2046
• Weighted residual factors for all reflections included in the refinement: 0.2216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No