Information card for entry 1572632

Structure parameters

• Formula: C372 H255 Ag27 Au2 Cl14 Cu28 F90 P9 S33
• Calculated formula: C372 H255 Ag27 Au2 Cl14 Cu28 F90 P9 S33
• SMILES: [Au]12345[Ag]678[Ag]9%10%11[Ag]%12%131([Ag]1%14%15[Ag]%163[Ag]3%17%186[Ag]6%19%20[Ag]%21%22%23%24[Au]%25%26%27%28[Ag]%29%30%31%32[Ag]%33%21[Ag]%21%34%22[Ag]%22%31([Ag]%31%27%29[Ag]%27%26[Ag]%26%29%35%25[Ag]%25%19%28[Ag]%26[S]([Cu]%19[S]%26%35([Ag]%28%20%29[Ag]473[S]34%10[Ag]7[S]8([Cu](Cl)([P](c8ccccc8)(c8ccccc8)c8ccccc8)[S]%18([Cu]8%10[Cu]%18([S]%20([Ag]%29[S]%35%17([Ag]516[Ag]%23%33[S]1([Cu]56[S]%17%23%14[Ag]29%12[Ag]%30%27[S]2([Cu]3([S]39([Cu]%12%14([Cu]%264[S]%14([Cu]9%12([S]7([Cu]43[Cu]2([S]4c2ccc(C(F)(F)F)cc2)[S]%11([Cu](Cl)([S]%13([Ag]%17[S]2([Cu]3([Cu]1([S]3c1ccc(C(F)(F)F)cc1)[S]%15([Cu]([S]%16%29c1ccc(cc1)C(F)(F)F)[P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(cc1)C(F)(F)F)[S]15([Cu]34([Cu]%23([S]%32([Cu]([S]%22([Cu](Cl)[P](c5ccccc5)(c5ccccc5)c5ccccc5)c5ccc(cc5)C(F)(F)F)[S]%346c5ccc(cc5)C(F)(F)F)c5ccc(cc5)C(F)(F)F)[S]4([Cu]213[P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(cc1)C(F)(F)F)Cl)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)c1ccc(cc1)C(F)(F)F)[P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(cc1)C(F)(F)F)Cl)c1ccc(cc1)C(F)(F)F)[S]%31%19c1ccc(cc1)C(F)(F)F)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)[Cu]1([S]%18([Cu]23([Cu]%35(Cl)([S]%24([Cu]([S]([Ag]%21)([Cu](Cl)[P](c4ccccc4)(c4ccccc4)c4ccccc4)c4ccc(cc4)C(F)(F)F)[S]%251c1ccc(cc1)C(F)(F)F)c1ccc(C(F)(F)F)cc1)[S]3([Cu]%202[P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(C(F)(F)F)cc1)Cl)c1ccc(cc1)C(F)(F)F)[S]%28%10c1ccc(C(F)(F)F)cc1)c1ccc(cc1)C(F)(F)F)[S]8c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)([Cu](Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(C(F)(F)F)cc1)Cl)Cl.[Cu+2].[Cl-].[Cl-].[Cl-]
• Title of publication: Size disproportionation among nanocluster transformations.
• Authors of publication: Zhu, Chen; Lu, Luyao; Li, Fei; Kang, Xi; Zhu, Manzhou
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 40
• Pages of publication: 16637 - 16644
• a: 41.4184 ± 0.0015 Å
• b: 29.7952 ± 0.0015 Å
• c: 47.331 ± 0.002 Å
• α: 90°
• β: 91.097 ± 0.003°
• γ: 90°
• Cell volume: 58399 ± 4 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: 0.1678
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1744
• Weighted residual factors for all reflections included in the refinement: 0.2025
• Goodness-of-fit parameter for all reflections included in the refinement: 0.713
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No