Information card for entry 1551821

Structure parameters

• Common name: Er3N@D2-C88 Ni(OEP)
• Chemical name: Er3N@D2-C88 Ni(OEP)
• Formula: C284 H132 Er6 N14 Ni3 S0
• Calculated formula: C284 H132 Er5.998 N14 Ni3
• 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: 24.8075 ± 0.0006 Å
• b: 18.1337 ± 0.0004 Å
• c: 22.2769 ± 0.0006 Å
• α: 90°
• β: 100.419 ± 0.001°
• γ: 90°
• Cell volume: 9856.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1824
• Residual factor for significantly intense reflections: 0.1567
• Weighted residual factors for significantly intense reflections: 0.3531
• Weighted residual factors for all reflections included in the refinement: 0.3711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.269
• Diffraction radiation wavelength: 0.82657 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No