Information card for entry 7129929

Structure parameters

• Formula: C204 H174 Au13 Cl24 Cu2 F6 P8 S6 Sb
• Calculated formula: C204 H174 Au13 Cl24 Cu2 F6 P8 S6 Sb
• SMILES: [Au]12345[Au]678([Au]9%10([Au]%11%12([Au]%13%14([Au]%15%161([Au]16([Au]6%17%15[Au]%152%11%13[Au]3796[S]([Cu]([S]%17c2ccc(cc2)C(C)(C)C)([S]%15c2ccc(cc2)C(C)(C)C)[P](c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c2ccc(cc2)C(C)(C)C)([Au]238%10[Au]64%12%14[Au]5%1612[S]([Cu]([S]6c1ccc(cc1)C(C)(C)C)([S]3c1ccc(cc1)C(C)(C)C)[P](c1ccc(cc1)Cl)(c1ccc(Cl)cc1)c1ccc(cc1)Cl)c1ccc(cc1)C(C)(C)C)[P](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[P](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[P](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[P](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[P](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[P](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.[Sb](F)(F)(F)(F)(F)[F-]
• Title of publication: An insight, at the atomic level, into the intramolecular metallophilic interaction in nanoclusters
• Authors of publication: Li, Hao; Zhou, Chuanjun; Wang, Endong; Kang, Xi; Xu, Wen Wu; Zhu, Manzhou
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 20.1117 ± 0.0007 Å
• b: 35.1137 ± 0.001 Å
• c: 36.6942 ± 0.0013 Å
• α: 90°
• β: 97.253 ± 0.003°
• γ: 90°
• Cell volume: 25706 ± 1.5 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 9
• 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: 0.0713
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 0.884
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No