Information card for entry 1547983

Structure parameters

• Formula: C664 H852 Ag136.45 Cl3 P S64
• Calculated formula: C664 H852 Ag136.45 Cl3 P S64
• SMILES: [Ag]12345[Ag]6789[Ag]%10%11%12%13[Ag]%14%15%16%17[Ag]%18%19%20%21[Ag]%22%23%24%25[Ag]%26%27%19[Ag]%19%28%29%30[Ag]%31%32%26[Ag]%26%33%34%35[Ag]%36%37%38%32[Ag]%32%39%40[Ag]%41%42%16%36[Ag]8%16%12[Ag]48%12%36[Ag]4%43%44%45[Ag]%46%47%12[Ag]%12%48%42%16[Ag]%16%42%49[Ag]%50%51%52%41[Ag]%41%53%54[Ag]%55%56%57%58[Ag]%59%60[S]%61%41(c%41ccc(C(C)(C)C)cc%41)[Ag]%41%62[Ag]%63%17([S]%32%16%62c%16ccc(C(C)(C)C)cc%16)[Ag]%16([S]%28%33%63c%17ccc(C(C)(C)C)cc%17)[Ag]%17%28[Ag]%32%61%41[Ag]%33%15%50[Ag]7[Ag]37%15%41[Ag]3%50%61%62[Ag]7%63%64%65[Ag]7%66%67%68[Ag]2%69%70%63[Ag]26%11[Ag]6%11%63%14[Ag]%14%71%33[Ag]%33%72%73[Ag]%74%75%76%63[Ag]%63%77%64%14[Ag]%14%64([S]%50%67c%50ccc(C(C)(C)C)cc%50)[Ag]%50%67%63[Ag]%63%78%79%80[Ag]%81%82%77[Ag]%77%83%78[S]%64%67(c%64ccc(C(C)(C)C)cc%64)[Ag]%64[S](c%67ccc(C(C)(C)C)cc%67)[Ag]%67[Ag]%78%84%85[Ag]%86%87([S]%67c%67ccc(C(C)(C)C)cc%67)[Ag]%67([S]%87c%87ccc(C(C)(C)C)cc%87)[Ag]%87%88%89[Ag]%90%91%92[Ag]%93%94%57([S]%85%86%89c%57ccc(cc%57)C(C)(C)C)[Ag]%57([S]%14%78c%14ccc(C(C)(C)C)cc%14)[Ag]%14%56%65%71[Ag]%56%94([Ag]([S]%59%72c%59ccc(C(C)(C)C)cc%59)([S]%84%56c%56ccc(cc%56)C(C)(C)C)[S]%82%83%64c%56ccc(C(C)(C)C)cc%56)[S]%53%60(c%53ccc(C(C)(C)C)cc%53)[Ag]%53%93[Ag]([S]%42%54c%42ccc(C(C)(C)C)cc%42)([S]%88%53c%42ccc(cc%42)C(C)(C)C)[S]%42%53(c%54ccc(C(C)(C)C)cc%54)[Ag]%54%56[Ag]%59%60%12%52[Ag]%12%52%64[Ag]%65%71%72%59[Ag]%59%51%58%90[Ag]3%55%15%14[Ag]3([Ag]8%41%60%59)([S]%62%91%57c8ccc(C(C)(C)C)cc8)[S]8%61(c%14ccc(C(C)(C)C)cc%14)[Ag]%14%15[Ag]%41%51%55[Ag]%57%58%59([Ag]9%13%31)[Ag]49%13%36[Ag]4%31%36[Ag]%60%61%92%59[Ag]%59%62%19%26[Ag]%19%38%13%60[Ag]%13%26%38[Ag]%60%78%61%59[Ag]%59%61[Ag]%82([S]%45%31c%31ccc(C(C)(C)C)cc%31)[S]%31%45(c%83ccc(C(C)(C)C)cc%83)[Ag]([S]%44%52(c%44ccc(C(C)(C)C)cc%44)[Ag]([S]%43%14%55c%14ccc(C(C)(C)C)cc%14)[S]3%71c3ccc(C(C)(C)C)cc3)[Ag]39%37%47[Ag]9%14([S]%39%49%56c%37ccc(cc%37)C(C)(C)C)[Ag]3%37%19([S]%34%40c3ccc(cc3)C(C)(C)C)[S]%14(c3ccc(C(C)(C)C)cc3)([Ag]%31([Ag]9%46%48%54%12)[S](c3ccc(C(C)(C)C)cc3)[Ag]%42[S]%64%72(c3ccc(C(C)(C)C)cc3)[Ag]3%53[Ag]([S]9%87%65c%12ccc(C(C)(C)C)cc%12)([S]%67c%12ccc(C(C)(C)C)cc%12)[S]3c3ccc(C(C)(C)C)cc3)[Ag]3%45[Ag]%12%14%19([S]3c3ccc(C(C)(C)C)cc3)[Ag]3([S]%61%82%12c%12ccc(C(C)(C)C)cc%12)([S]%38%37%14c%12ccc(C(C)(C)C)cc%12)[Ag]%12([S]%19c%14ccc(C(C)(C)C)cc%14)[Ag]%14%19%31[Ag]%34%37([S]3%78%14c3ccc(C(C)(C)C)cc3)[Ag]3([S]%31c%14ccc(C(C)(C)C)cc%14)[S]%14%34(c%31ccc(C(C)(C)C)cc%31)[Ag]%31%34%38[Ag]%39%40[Ag]9%14%27%62[Ag]9%60([Ag]%13(S9%29%35%26c9ccc(C(C)(C)C)cc9)[S]%12%19c9ccc(cc9)C(C)(C)C)[S]%37(c9ccc(C(C)(C)C)cc9)[Ag]9%12([S]%24%30c%13ccc(C(C)(C)C)cc%13)[Ag]%13%14%19%31[Ag]%24%57%40[Ag]%26%27%29[Ag]%30%31%35%19[Ag]1%19%24([Ag]%10%18)[Ag]1%10%18[Ag]%24%37[Ag]%40%42%43%44[Ag]%45%46%47[Ag]([S]%68%50%46c%46ccc(C(C)(C)C)cc%46)([S]%18%43c%18ccc(C(C)(C)C)cc%18)([S]2%66(c2ccc(C(C)(C)C)cc2)[Ag]8%15[Ag]52[S]1%26(c1ccc(C(C)(C)C)cc1)[Ag]%51%58[S]4%41(c1ccc(C(C)(C)C)cc1)[Ag]([S]%36%59%39c1ccc(C(C)(C)C)cc1)[S]%34%27c1ccc(C(C)(C)C)cc1)[Ag]1%63%19[Ag]4%35%24%40[Ag]%20%22%14%30[Ag]58%14%31[Ag]%15%18[Ag]%19([Ag]4%21%11[Ag]1%76%42%45[Ag]27%70%75%80)([S]%23%16%28c1ccc(C(C)(C)C)cc1)[S]%25%15(c1ccc(C(C)(C)C)cc1)[Ag]195[Ag]24%14([Ag]%13([S]%29%10%37c5ccc(C(C)(C)C)cc5)[S]4%38(c4ccc(C(C)(C)C)cc4)[Ag]([S]12%12c1ccc(C(C)(C)C)cc1)[S]3c1ccc(C(C)(C)C)cc1)[S](c1ccc(C(C)(C)C)cc1)[Ag]8[S]%18(c1ccc(C(C)(C)C)cc1)[Ag]12[Ag]%69([S]%73%81(c3ccc(C(C)(C)C)cc3)[Ag]6%74([S]%17%32%33c3ccc(C(C)(C)C)cc3)[S]2%19c2ccc(C(C)(C)C)cc2)[S]1(c1ccc(C(C)(C)C)cc1)[Ag]%79([S]%44%47c1ccc(C(C)(C)C)cc1)[S]%77c1ccc(C(C)(C)C)cc1.[Cl-].[Cl-]
• Title of publication: Plasmonic twinned silver nanoparticles with molecular precision
• Authors of publication: Huayan Yang; Yu Wang; Xi Chen; Xiaojing Zhao; Lin Gu; Huaqi Huang; Juanzhu Yan; Chaofa Xu; Gang Li; Junchao Wu; Alison J. Edwards; Birger Dittrich; Zichao Tang; Dongdong Wang; Lauri Lehtovaara; Hannu Hakkinen; Nanfeng Zheng
• Journal of publication: Nature Communications
• Year of publication: 2016
• Journal volume: 7
• Pages of publication: 12809
• a: 28.8117 ± 0.0004 Å
• b: 29.9302 ± 0.0004 Å
• c: 54.0382 ± 0.0005 Å
• α: 79.591 ± 0.001°
• β: 86.179 ± 0.001°
• γ: 83.426 ± 0.0012°
• Cell volume: 45480.7 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections: 0.1006
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1318
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No