Information card for entry 1567838

Structure parameters

• Formula: C123 H53 Lu3 N5 Ni
• Calculated formula: C123 H53 Lu3.0001 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: 25.313 ± 0.003 Å
• b: 15.0309 ± 0.0018 Å
• c: 19.673 ± 0.002 Å
• α: 90°
• β: 95.136 ± 0.004°
• γ: 90°
• Cell volume: 7455.1 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1338
• Residual factor for significantly intense reflections: 0.1229
• Weighted residual factors for significantly intense reflections: 0.2943
• Weighted residual factors for all reflections included in the refinement: 0.304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.7336 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No