Information card for entry 1570893

Structure parameters

• Chemical name: Ni9(pMPT)18
• Formula: C126 H126 Ni9 S18
• Calculated formula: C126 H126 Ni9 S18
• 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: 28.916 ± 0.007 Å
• b: 28.916 ± 0.007 Å
• c: 69.42 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 50268 ± 3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1969
• Weighted residual factors for all reflections included in the refinement: 0.2151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No