Information card for entry 4119491

Structure parameters

• Formula: C121.32 H49.33 Cl0.41 N4 Ni Sm3
• Calculated formula: C120.82 H49.46 Cl0.81 N4 Ni Sm2.7694
• Title of publication: An Experimentally Observed Trimetallofullerene Sm3@Ih-C80: Encapsulation of Three Metal Atoms in a Cage without a Nonmetallic Mediator
• Authors of publication: Wei Xu; Lai Feng; Matteo Calvaresi; Jia Liu; Yang Liu; Ben Niu; Zujin Shi; Yongfu Lian; Francesco Zerbetto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 4187 - 4190
• a: 25.26 ± 0.002 Å
• b: 15.1746 ± 0.0014 Å
• c: 19.7048 ± 0.0018 Å
• α: 90°
• β: 95.067 ± 0.001°
• γ: 90°
• Cell volume: 7523.5 ± 1.1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• 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: 0.0835
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.2121
• Weighted residual factors for all reflections included in the refinement: 0.2189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No