Information card for entry 4125558

Structure parameters

• Common name: La2c2@C2-C90 Ni(OEP)
• Chemical name: La2c2@C2-C90 Ni(OEP)
• Formula: C336 H144 La4 N12 Ni3
• Calculated formula: C336 H144 La4.002 N12 Ni3
• Title of publication: Stabilization of Giant Fullerenes C2(41)-C90, D3(85)-C92, C1(132)-C94, C2(157)-C96, and C1(175)-C98 by Encapsulation of a Large La2C2 Cluster: The Importance of Cluster-Cage Matching.
• Authors of publication: Zhao, Shasha; Zhao, Pei; Cai, Wenting; Bao, Lipiao; Chen, Muqing; Xie, Yunpeng; Zhao, Xiang; Lu, Xing
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 13
• Pages of publication: 4724 - 4728
• a: 25.597 ± 0.004 Å
• b: 15.54 ± 0.002 Å
• c: 27.911 ± 0.004 Å
• α: 90°
• β: 113.193 ± 0.003°
• γ: 90°
• Cell volume: 10205 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1601
• Residual factor for significantly intense reflections: 0.1031
• Weighted residual factors for significantly intense reflections: 0.2806
• Weighted residual factors for all reflections included in the refinement: 0.3244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No