Information card for entry 1570894

Structure parameters

• Chemical name: Ni12(pMPT)24
• Formula: C168 H168 Ni12 S24
• Calculated formula: C168 H168 Ni12 S24
• 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: 15.8579 ± 0.0017 Å
• b: 19.165 ± 0.002 Å
• c: 19.177 ± 0.002 Å
• α: 87.841 ± 0.004°
• β: 81.039 ± 0.004°
• γ: 82.464 ± 0.004°
• Cell volume: 5706.5 ± 1 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1108
• Residual factor for significantly intense reflections: 0.0892
• Weighted residual factors for significantly intense reflections: 0.2578
• Weighted residual factors for all reflections included in the refinement: 0.2765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No