Information card for entry 1569583

Structure parameters

• Formula: C129 H93 Ag13 Au4 Cl18 P6 S9
• Calculated formula: C129 H93 Ag13 Au4 Cl18 P6 S9
• SMILES: [Au]12345[Au]6789[Ag]%10%11%123[Au]3%13%141[Ag]1%156([Ag]6%1643[Ag]34%13[Au]%13%17%182[Ag]2%10([Ag]%10%197%11[Ag]7%17([Ag]%11%17%13[Ag]5816[S]([Ag]%11([S]%17c1c(Cl)cccc1Cl)[S]%16c1c(Cl)cccc1Cl)c1c(Cl)cccc1Cl)[Ag]%10([S]7c1c(Cl)cccc1Cl)([S]%19c1c(Cl)cccc1Cl)[P](C[P]%18(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Ag]3([S]4c1c(Cl)cccc1Cl)([S]2c1c(cccc1Cl)Cl)[P](c1ccccc1)(C[P]%14(c1ccccc1)c1ccccc1)c1ccccc1)[Ag]([S]%12c1c(Cl)cccc1Cl)([S]%15c1c(Cl)cccc1Cl)[P](C[P]9(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Restriction of intramolecular rotation for functionalizing metal nanoclusters.
• Authors of publication: Xin, Junsheng; Xu, Jing; Zhu, Chen; Tian, Yupeng; Zhang, Qiong; Kang, Xi; Zhu, Manzhou
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 32
• Pages of publication: 8474 - 8482
• a: 24.1353 ± 0.0004 Å
• b: 24.3999 ± 0.0004 Å
• c: 26.5043 ± 0.0004 Å
• α: 90°
• β: 90.951 ± 0.001°
• γ: 90°
• Cell volume: 15606.2 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• 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: 0.0632
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No