Information card for entry 7135545

Structure parameters

• Common name: Lu@C2v(9)-C82 Ni(OEP)
• Formula: C130 H56 Lu N4 Ni
• Calculated formula: C130 H56 Lu0.9999 N4 Ni
• Title of publication: Crystallographic determination of Lu@<i>C</i>_2v(9)-C₈₂: electronic configuration and encapsulation energy-driven formation preference.
• Authors of publication: Zhang, Rui; Yu, Pengwei; Li, Mengyang; Tan, Xiaoxue; Hu, Zhicong; Shen, Wangqiang; Bao, Lipiao; Lu, Xing
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 9
• Pages of publication: 2991 - 2994
• a: 25.2393 ± 0.0018 Å
• b: 15.1444 ± 0.0011 Å
• c: 19.8378 ± 0.0014 Å
• α: 90°
• β: 94.756 ± 0.002°
• γ: 90°
• Cell volume: 7556.6 ± 0.9 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: 0.0921
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.2396
• Weighted residual factors for all reflections included in the refinement: 0.2459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.6125 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No