Information card for entry 1550158

Structure parameters

• Common name: Lu2C2@Cs-C88 Ni(OEP)
• Chemical name: Lu2C2@Cs-C88 Ni(OEP)
• Formula: C136 H53.6 Lu2 N4 Ni S0.8
• Calculated formula: C136 H53.6 Lu1.9999 N4 Ni S0.8
• 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: 14.749 ± 0.005 Å
• b: 15.029 ± 0.005 Å
• c: 19.899 ± 0.005 Å
• α: 84.624 ± 0.005°
• β: 88.62 ± 0.005°
• γ: 62.644 ± 0.005°
• Cell volume: 3899 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0991
• Residual factor for significantly intense reflections: 0.0916
• Weighted residual factors for significantly intense reflections: 0.254
• Weighted residual factors for all reflections included in the refinement: 0.2637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.6525 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No