Information card for entry 7128044

Structure parameters

• Formula: C124 H50 N5 Ni Sc3
• Calculated formula: C124 H50 N5 Ni Sc3
• Title of publication: A non-isolated pentagon rule C₈₂ cage stabilized by a stretched Sc₃N cluster.
• Authors of publication: Guo, Min; Li, Xiaomeng; Yao, Yang-Rong; Zhuang, Jiaxin; Meng, Qingyu; Yan, Yingjing; Liu, Xinye; Chen, Ning
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 34
• Pages of publication: 4150 - 4153
• a: 19.83 ± 0.005 Å
• b: 15.111 ± 0.003 Å
• c: 25.233 ± 0.008 Å
• α: 90°
• β: 93.958 ± 0.019°
• γ: 90°
• Cell volume: 7543 ± 3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130.01 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.221
• Weighted residual factors for all reflections included in the refinement: 0.2368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No