Information card for entry 7106269

Structure parameters

• Formula: C115 H108 Au6 B4 Cl12 Cu2 F16 N6 P6
• Calculated formula: C115 H108 Au6 B4 Cl12 Cu2 F16 N6 P6
• SMILES: [B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[n]12[Cu]3456[n]7cc(C)ccc7[P]([Au]789%105[Au]5%11%124([P](c1ccc(c2)C)(c1ccccc1)c1ccccc1)[C]1247[Au]7%13%14%158[P](c8[n]([Cu]%16%17%18%15[n]%15c([P]([Au]517%17([Au]69%112%13[P](c1[n]3cc(cc1)C)(c1ccccc1)c1ccccc1)[Au]%10%124%14%18[P](c1[n]%16cc(cc1)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)ccc(c%15)C)cc(cc8)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Luminescent gold(I)-copper(I) clusters with unprecedented carbon-centered trigonal prismatic hexagold
• Authors of publication: Jian-Hua Jia; Jing-Xia Liang; Zhen Lei; Ze-Xing Cao; Quan-Ming Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 4739
• a: 15.7378 ± 0.0003 Å
• b: 24.8385 ± 0.0007 Å
• c: 16.3084 ± 0.0004 Å
• α: 90°
• β: 94.3012 ± 0.0019°
• γ: 90°
• Cell volume: 6357.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No