Information card for entry 1505084

Structure parameters

• Formula: C190 H175 Au25 Cl2 F12 P10 S5 Sb2
• Calculated formula: C190 H175 Au25 Cl2 F12 P10 S5 Sb2
• SMILES: [Au]12345([Au]6789([Au]%10%11%121([Au]1%13%142([Au]2%15%163([Au]3%1746([Au]46%18%19%2057%1012[Au]125783[Au]38%109%114[Au]49%11%12%136[Au]6%12%13%14%15%18[Au]%14%15%16%17%191[Au]1%16%17%18%19%202346[Au]23465([Au]5%20%2181([Au]18%229%16([Au]9%16%23%12%17([Au]%12%17%14%182([Au]2%14%18%24%25%193519[Au]134%20([Au]4%2182([Au]2%22%16%14([Au]5%23%12%18([Au]6%17%241([Au]%253425Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[S]%15CC)[S]%13CC)[S]%11CC)[S]%10CC)[S]7CC)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl.[Sb](F)(F)(F)(F)(F)[F-].[Sb](F)(F)(F)([F-])(F)F
• Title of publication: Biicosahedral Gold Clusters [Au25(PPh3)10(SCnH2n+1)5Cl2]2+ (n = 2-18): A Stepping Stone to Cluster-Assembled Materials
• Authors of publication: Shichibu, Y.; Negishi, Y.; Watanabe, T.; Chaki, N.K.; Kawaguchi, H.; Tsukuda, T.
• Journal of publication: Journal of Physical Chemistry C
• Year of publication: 2007
• Journal volume: 111
• Journal issue: 22
• Pages of publication: 7845
• a: 16.53 ± 0.006 Å
• b: 20.372 ± 0.009 Å
• c: 31.649 ± 0.009 Å
• α: 89.77 ± 0.02°
• β: 79.83 ± 0.02°
• γ: 89.14 ± 0.02°
• Cell volume: 10489 ± 7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.205
• Residual factor for significantly intense reflections: 0.1717
• Weighted residual factors for significantly intense reflections: 0.3858
• Weighted residual factors for all reflections included in the refinement: 0.4029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No