Information card for entry 4133270

Structure parameters

• Formula: C273 H281 Ag43 Cl2 P4 S25
• Calculated formula: C273 H281 Ag43 Cl2 P4 S25
• SMILES: [Ag]123456789%10[Ag]%11%12%13%14%15%16%17%18[Ag]%19%20%21%22%23%24%25%26%27[Ag]%28%29%30%31%32%33%342%11[Ag]2%11%35%36%37%38%39%401[Ag]1%41%42%43%44%45%464[Ag]4%47%48%49%50%513%12[Ag]3%12%52%53%54%55%13%20[Ag]%13%20%56%57%58%59%6014[Ag]14%61%62%63%64%65%213[Ag]3%21%66%67%68%19%282[Ag]2%19%28%69%11%41%131[Ag]1%11%13%41%38%67[Ag]%38%67%70%32%37%21[Ag]%21%32%37%71%40[Ag]%40%72%73%745%30%35[Ag]5%30%356%36%43[Ag]6%369%44%50[Ag]9%43%10([Ag]%10%44%507%17%49[Ag]7%17%49%14%47%12[Ag]%12%14%47%75%76%16%23%52[Ag]%16%23%52%77%78%15%22%29[Ag]%15%22%29%24%313[Ag]3%24%31%254%66[Ag]4%25%62%68%191([Ag]1%19%56%612[Ag]2%56%54%57%64([Ag]%54%26%53%63%123[S]3%76([Ag]%12([Ag]%27%47%52%153([S]%77([Ag]%14%23([S]%17%75c3cc(ccc3C)C)[S]%44([Ag]8%18%33%40%10%16([S]%739c3cc(ccc3C)C)[S]%78([Ag]%34%38%72([S]%71%74c3cc(ccc3C)C)[S]%70%22c3cc(C)ccc3C)c3c(ccc(c3)C)C)c3cc(ccc3C)C)c3c(ccc(C)c3)C)[S]%29%12c3cc(ccc3C)C)([S]%31([Ag]%65%244([S]2%54c2c(C)ccc(c2)C)[S]%25%19c2cc(ccc2C)C)c2cc(ccc2C)C)[P](c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(ccc2C)C)[Ag]23489%60[Ag]%10%12%42%48%20([Ag]%51%55%5872([S]%49([Ag]([S]6%10c2cc(ccc2C)C)([S]%43%50c2c(ccc(c2)C)C)[P](c2ccccc2)(c2ccccc2)c2ccccc2)c2c(C)ccc(c2)C)[S]9c2c(ccc(c2)C)C)[Ag]2%46%59%69([Ag]%39%45%285([S]%11([Ag]%21([S]%13%67%32c5cc(C)ccc5C)([S]%37%30c5cc(ccc5C)C)[P](c5ccccc5)(c5ccccc5)c5ccccc5)c5c(C)ccc(c5)C)[S]2c2c(ccc(c2)C)C)[S]1([Ag]3([S]4%12c1c(ccc(c1)C)C)([S]%568c1c(C)ccc(c1)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(ccc1C)C)[S]%41c1cc(ccc1C)C)[S]%35%36c1cc(C)ccc1C.ClCCl
• Title of publication: A Unique Pair: Ag₄₀ and Ag₄₆ Nanoclusters with the Same Surface but Different Cores for Structure-Property Correlation.
• Authors of publication: Chai, Jinsong; Yang, Sha; Lv, Ying; Chen, Tao; Wang, Shuxin; Yu, Haizhu; Zhu, Manzhou
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 46
• Pages of publication: 15582 - 15585
• a: 27.11 ± 0.003 Å
• b: 21.353 ± 0.003 Å
• c: 60.606 ± 0.007 Å
• α: 90°
• β: 91.001 ± 0.006°
• γ: 90°
• Cell volume: 35078 ± 7 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• 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: 0.1151
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.2364
• Weighted residual factors for all reflections included in the refinement: 0.2537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No