Information card for entry 1560316

Structure parameters

• Formula: C144 H123 Au11 Cl6 Cu N3 P7 S3
• Calculated formula: C144 H123 Au11 Cl6 Cu N3 P7 S3
• SMILES: [Au]12345[Au]67([Au]81([Au]19([Au]26([Au]26([Au]%10%11%121[Au]1%1332[Au]8([Au]476[P](c2ccccc2)(c2ccccc2)c2ccccc2)([Au]259%10[Cu]%111([n]1c(S%13)cccc1)([n]1c(S2)cccc1)[n]1c(S%12)cccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.ClCCl.ClCCl
• Title of publication: A mono-copper doped undeca-gold cluster with up-converted and anti-stokes emissions of fluorescence and phosphorescence.
• Authors of publication: Wu, Haiming; Fang, Ye-Guang; Anumula, Rajini; Andrew, Gaya N.; Cui, Ganglong; Fang, Weihai; Luo, Zhixun; Yao, Jiannian
• Journal of publication: Nanoscale
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 5300 - 5306
• a: 17.0278 ± 0.0002 Å
• b: 37.9099 ± 0.0004 Å
• c: 26.2407 ± 0.0003 Å
• α: 90°
• β: 99.317 ± 0.001°
• γ: 90°
• Cell volume: 16715.5 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103.15 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No