Information card for entry 1570892

Structure parameters

• Chemical name: Ni10(pMPT)20
• Formula: C140 H140 Ni10 S20
• Calculated formula: C140 H140 Ni10 S20
• Title of publication: A homologous series of macrocyclic Ni clusters: synthesis, structures, and catalytic properties.
• Authors of publication: Xiang, Huixin; Cheng, Ranran; Ruan, Chenhao; Meng, Changqing; Gan, Yuzheng; Cheng, Wanyu; Zhao, Yue; Xu, Cong-Qiao; Li, Jun; Yao, Chuanhao
• Journal of publication: Nanoscale
• Year of publication: 2024
• Journal volume: 16
• Journal issue: 9
• Pages of publication: 4563 - 4570
• a: 23.4881 ± 0.0012 Å
• b: 30.1131 ± 0.0018 Å
• c: 48.101 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 34022 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No