Information card for entry 4130013

Structure parameters

• Formula: C279 H178 Ag28 Au34
• Calculated formula: C279 H178 Ag28 Au34
• SMILES: [Au]1234567[Au]89%10%11%12%13%14%15%16[Au]%17%18%19%20%21%22%231[Au]1%24%25%26%27%28%10[Au]%10%29%30%31%32%33%348[Au]8%35%36%37%38%3929[Au]29%40%41%42%43%44%45[Au]%46%47%48%49%50%51[Au]%52%53%54%55%56%57%58%59[Au]%60%61%62%63%64%65[Au]%66%67%68%69%171%52[Au]1%17%523%18%46%53[Au]3%18%46[Ag]%53%70%71%50%55[Ag]%50%55%72%73%56[Au]%56%74%75%76%77%78%48%54%62[Au]%48%54%62%79%60[Au]%60%80%81%24%29%61[Au]%24%29%61[Ag]%82%83%84%27%33[Ag]%27%16%31[C]%16(#Cc%31ccccc%31)[Au]%11[C]%11#[C](c%31ccccc%31)[Ag]%31%33%12%35%11[Ag]%11%12%354%36%41[Au]4%40([Ag]%36%40%41%44%51[Au]%44%51%85%869%47%56%48[Au]9%47%1082([Au]28%10[Ag]%48%56%32%389[Ag]9%14%30%37([Au]([C]%83%27#Cc%14ccccc%14)[C]%48#[C]%56c%14ccccc%14)[C](#[C]9[Au][C]%11([Ag]9%39%45([Ag]%11%14%85([Au]%27([Ag]%30%32%37%38%78%62%86[Au]([C]%39#[C](c%45ccccc%45)[Ag]%45%65%79%24%39[Ag]%24%77%32([C](c%32ccccc%32)#[C]%24[Au]%24[Ag]%32%39%57%63%76[Ag]%48%58%64%68([Au]%56%66([Ag]%57%58%21%26([Au]([C]%82#Cc%21ccccc%21)[C]%21#[C](c%26ccccc%26)[Ag]%15%20%25%16%57%21)[C]([Au][C]%15#[C](c%16ccccc%16)[Ag]5%13%19%31%15[Ag]57%22%523[C](#[C]5c3ccccc3)[Au][C]%33%35#Cc3ccccc3)([Ag]3%23([Ag]5%59([C]%71([Au][C]%39#[C]%32c7ccccc7)#Cc7ccccc7)[C]%56#[C]5c5ccccc5)[C]%46#[C]3c3ccccc3)#[C]%58c3ccccc3)[C](#Cc3ccccc3)[Ag]%28%69%81[C]%29%45#Cc3ccccc3)[C](#[C]%24%48)c3ccccc3)[C]%37(#Cc3ccccc3)[Au]%74[C]%72#[C]%73c3ccccc3)[C]%38(#Cc3ccccc3)[Ag]%54%512%30([C]%11%27#Cc2ccccc2)[C]28[Ag]%34%80%47([C]#2c2ccccc2)[C]%61%84#Cc2ccccc2)[C]2#[C](c3ccccc3)[Ag]%75%36%442[Au]%50([C]%53%55#Cc2ccccc2)[C]%41#[C]%40c2ccccc2)[C]4#[C]%14c2ccccc2)[C](c2ccccc2)#[C]%109)#Cc2ccccc2)c2ccccc2)[Ag]%43%67%17%60)[C]2%12[Ag]6%42%491([C]%18%70#Cc1ccccc1)[C]#2c1ccccc1.c1cc(ccc1)C
• Title of publication: Atomically Precise Alkynyl-Protected Metal Nanoclusters as a Model Catalyst: Observation of Promoting Effect of Surface Ligands on Catalysis by Metal Nanoparticles.
• Authors of publication: Wang, Yu; Wan, Xian-Kai; Ren, Liting; Su, Haifeng; Li, Gang; Malola, Sami; Lin, Shuichao; Tang, Zichao; Häkkinen, Hannu; Teo, Boon K.; Wang, Quan-Ming; Zheng, Nanfeng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 10
• Pages of publication: 3278 - 3281
• a: 36.8939 ± 0.0006 Å
• b: 22.066 ± 0.0005 Å
• c: 39.9832 ± 0.0007 Å
• α: 90°
• β: 102.216 ± 0.0018°
• γ: 90°
• Cell volume: 31813.3 ± 1.1 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0935
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No