Information card for entry 1551819

Structure parameters

• Common name: Er3N@C2v-C82 Ni(OEP)
• Chemical name: Er3N@C2v-C82 Ni(OEP)
• Formula: C130 H56 Er3 N5 Ni S0
• Calculated formula: C130 H56 Er3.0002 N5 Ni
• Title of publication: Crystallographic characterization of Er₃N@C_2n (2n = 80, 82, 84, 88): the importance of a planar Er₃N cluster.
• Authors of publication: Hu, Shuaifeng; Zhao, Pei; Shen, Wangqiang; Yu, Pengyuan; Huang, Wenhuan; Ehara, Masahiro; Xie, Yunpeng; Akasaka, Takeshi; Lu, Xing
• Journal of publication: Nanoscale
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 28
• Pages of publication: 13415 - 13422
• a: 25.548 ± 0.005 Å
• b: 15.259 ± 0.005 Å
• c: 19.989 ± 0.005 Å
• α: 90 ± 0.005°
• β: 95.273 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 7759 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1326
• Residual factor for significantly intense reflections: 0.0917
• Weighted residual factors for significantly intense reflections: 0.2555
• Weighted residual factors for all reflections included in the refinement: 0.3079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No