Information card for entry 1550157

Structure parameters

• Common name: Lu2C2@C2v-C86 Ni(OEP)
• Chemical name: Lu2C2@C2v-C86 Ni(OEP)
• Formula: C130 H50 Lu2 N4 Ni
• Calculated formula: C130 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: 14.604 ± 0.005 Å
• b: 15.012 ± 0.005 Å
• c: 19.852 ± 0.005 Å
• α: 85.556 ± 0.005°
• β: 88.966 ± 0.005°
• γ: 62.445 ± 0.005°
• Cell volume: 3846 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1157
• Residual factor for significantly intense reflections: 0.1047
• Weighted residual factors for significantly intense reflections: 0.2705
• Weighted residual factors for all reflections included in the refinement: 0.2816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No