Information card for entry 1567837

Structure parameters

• Formula: C124 H53 Lu3 N5 Ni S2
• Calculated formula: C124 H53 Lu3 N5 Ni S2
• 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: 26.44 ± 0.005 Å
• b: 16.808 ± 0.003 Å
• c: 17.861 ± 0.004 Å
• α: 90°
• β: 107.97 ± 0.03°
• γ: 90°
• Cell volume: 7550 ± 3 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: 0.0847
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.2133
• Weighted residual factors for all reflections included in the refinement: 0.2168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.7336 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No