Information card for entry 1550156

Structure parameters

• Common name: Lu2@C2v-C84 Ni(OEP)
• Chemical name: Lu2@C2v-C84 Ni(OEP)
• Formula: C126 H50 Lu2 N4 Ni
• Calculated formula: C126 H50 Lu2.0001 N4 Ni
• Title of publication: Crystallographic Characterization of Lu2C2n (2n = 76-90): Cluster Selection by Cage Size
• Authors of publication: Lu, Xing; Shen, Wangqiang; Bao, Lipiao; Hu, Shuaifeng; Yang, Le; Jin, Peng; Xie, Yun-Peng; Akasaka, Takeshi
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 25.41 ± 0.005 Å
• b: 15.11 ± 0.005 Å
• c: 19.917 ± 0.005 Å
• α: 90 ± 0.005°
• β: 94.51 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 7623 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.089
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.2353
• Weighted residual factors for all reflections included in the refinement: 0.2438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.6525 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No