Information card for entry 1567836

Structure parameters

• Formula: C124 H56 Lu3 N5 Ni
• Calculated formula: C124 H56 Lu3 N5 Ni
• Title of publication: Steering Lu3N cluster in C76-78 cages: Cluster configuration dominated by cage transformation
• Authors of publication: Bao, Lipiao; Yu, Pengwei; Hu, Shuaifeng; Tian, Xinyue; Shen, Wangqiang; Yu, Pengyuan; Guo, Kun; Xie, Yun-Peng; Lu, Xing
• Journal of publication: Nanoscale
• Year of publication: 2022
• a: 25.1131 ± 0.0005 Å
• b: 15.0135 ± 0.0003 Å
• c: 19.6714 ± 0.0005 Å
• α: 90°
• β: 93.887 ± 0.001°
• γ: 90°
• Cell volume: 7399.8 ± 0.3 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: 0.1303
• Residual factor for significantly intense reflections: 0.1197
• Weighted residual factors for significantly intense reflections: 0.3195
• Weighted residual factors for all reflections included in the refinement: 0.326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.7336 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No