Information card for entry 1550161

Structure parameters

• Common name: Lu3N@D2-C88 Ni(OEP)
• Chemical name: Lu3N@D2-C88 Ni(OEP)
• Formula: C296 H144 Lu6 N14 Ni3
• Calculated formula: C296 H144 Lu5.9994 N14 Ni3
• 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: 24.634 ± 0.005 Å
• b: 17.744 ± 0.005 Å
• c: 23.328 ± 0.005 Å
• α: 90 ± 0.005°
• β: 103.22 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 9927 ± 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: 0.1766
• Residual factor for significantly intense reflections: 0.1516
• Weighted residual factors for significantly intense reflections: 0.3278
• Weighted residual factors for all reflections included in the refinement: 0.3417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.6525 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No