Information card for entry 4002836

Structure parameters

• Formula: C180 H150 Au23 Br7 P10 Pd2
• Calculated formula: C180 H150 Au23 Br7 P10 Pd2
• SMILES: c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Au]12345[Au]6789%10%11[Au]%12%13%14%15%16%17%18%19%20%21[Au]%22%23%24%25%267[Au]7%2716([Au]16%28%22([Au]%22%29%30%31%13%23[Au]%13%23%32%33%34%14[Au]%14%35%362([Au]2371([Au]6%22%13%14([P](c1ccccc1)(c1ccccc1)c1ccccc1)[Pd]49%15%25%27%28%30%32%352[Au]15%11%18%33%36[Au]2345%12([Br]1)[Au]167%10%16([Br]8)[Au]89%10%11([Au]%12%13%17%261([Br]%24)[Au]1%14%158([Au]8%16%19%31%12([Br]%29)[Au]%12%17%20%344([Br]%23)[Au]4%18%193([Au]3269([Au]2%1014([Au]%148%12%18([P](c1ccccc1)(c1ccccc1)c1ccccc1)[Pd]%2157%11%13%15%16%17%1932)Br)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)Br)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Structure of Self-Assembled Pd2Au23(PPh3)10Br7 Nanocluster: Exploiting Factors That Promote Assembly of Icosahedral Nano-Building-Blocks
• Authors of publication: Kang, Xi; Xiang, Ji; Lv, Ying; Du, Wenjun; Yu, Haizhu; Wang, Shuxin; Zhu, Manzhou
• Journal of publication: Chemistry of Materials
• Year of publication: 2017
• a: 16.475 ± 0.004 Å
• b: 24.378 ± 0.005 Å
• c: 29.61 ± 0.006 Å
• α: 90°
• β: 102.95 ± 0.003°
• γ: 90°
• Cell volume: 11590 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1665
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.1696
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No