Information card for entry 1570895

Structure parameters

• Chemical name: Ni11(pMPT)22
• Formula: C308 H308 Ag0 Ni22 S44
• Calculated formula: C308 H308 Ni22 S44
• 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: 23.683 ± 0.003 Å
• b: 27.568 ± 0.004 Å
• c: 29.823 ± 0.004 Å
• α: 90.121 ± 0.007°
• β: 90.422 ± 0.007°
• γ: 98.048 ± 0.007°
• Cell volume: 19279 ± 5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3337
• Residual factor for significantly intense reflections: 0.148
• Weighted residual factors for significantly intense reflections: 0.3939
• Weighted residual factors for all reflections included in the refinement: 0.4836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No