Information card for entry 7132181

Structure parameters

• Formula: C240 H106 Lu4 N8 Ni2 O2 S4
• Calculated formula: C240 H106 Lu3.9998 N8 Ni2 O2 S4
• Title of publication: Stabilizing non-IPR C2(13333)-C74 cage with Lu2C2/Lu2O: the importance of encaged non-metallic elements
• Authors of publication: Yu, Pengwei; Li, Mengyang; Hu, Shuaifeng; Pan, Changwang; Shen, Wangqiang; GUO, Kun; Xie, Yun-Peng; Bao, Lipiao; Zhang, Rui; Lu, Xing
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 25.811 ± 0.003 Å
• b: 16.724 ± 0.002 Å
• c: 17.817 ± 0.002 Å
• α: 90°
• β: 106.529 ± 0.004°
• γ: 90°
• Cell volume: 7373.1 ± 1.5 ų
• Cell temperature: 446 ± 2 K
• Ambient diffraction temperature: 446 ± 2 K
• Number of distinct elements: 7
• 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: 0.1037
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.2335
• Weighted residual factors for all reflections included in the refinement: 0.2669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No