Information card for entry 1551822

Structure parameters

• Common name: Er3N@Cs-C84 Ni(OEP)
• Chemical name: Er3N@Cs-C84 Ni(OEP)
• Formula: C131.05 H54.85 Er3 N5 Ni S0.38
• Calculated formula: C131.05 H54.86 Er3.0001 N5 Ni1.08 S0.38
• 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: 14.5795 ± 0.0002 Å
• b: 14.9763 ± 0.0002 Å
• c: 19.7722 ± 0.0003 Å
• α: 84.96 ± 0.001°
• β: 89.147 ± 0.001°
• γ: 62.37°
• Cell volume: 3808.45 ± 0.09 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: 0.0767
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.1892
• Weighted residual factors for all reflections included in the refinement: 0.1913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.6525 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No