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Information card for entry 1566370
Preview
| Coordinates | 1566370.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C432 H471 Ag38 Au43 Cl12 |
|---|---|
| Calculated formula | C432 H471 Ag38 Au43 Cl12 |
| SMILES | [Ag]123[Cl]45[Ag]678[Au]9%10%11%12%13%14[Ag]%15%16%17%18[Au]%19%20%21%22%23%24%259[Ag]9(Cl)[Au]%26%27%28%29%30%10%22[Au]%10%22%31%32%33%21[Ag]%21%19([C](#[C]%21c%19ccc(cc%19)C(C)(C)C)[Au]%23[C]6%15#Cc6ccc(cc6)C(C)(C)C)[C]6([Ag]%15[C]%19([Au]%21[Au]%23%34%35%36%37%31[Ag]%31%38%19[Au]%19%39%40%41%28%33%35([Ag]%28%33%35%42[Au]%43%44%45%46%30%41[Au]%30%41%47%11[Au]%11%48%49%50%51%52[Ag]%53%54%55[Au]%56%57%37%39%46%51([Ag]%19(Cl)[C]%33([Au]%57[C]%54#Cc%19ccc(cc%19)C(C)(C)C)#[C]%35c%19ccc(cc%19)C(C)(C)C)[Ag]%19%23([Au]%23%33%35%37%39%36%50%56[Ag]%36%46%11([C]%53([Au]%39[C]%11#[C](c%39ccc(cc%39)C(C)(C)C)[Ag]%39%33%11[Au]%11%33%24%32%34%35[Au]([C]%24#[C](c%32ccc(cc%32)C(C)(C)C)[Ag]%20%11%24[Au]%118%14%25%52%37%33[Au]([C]7#Cc7ccc(cc7)C(C)(C)C)[C]%36([Ag]%23%11Cl)#[C]%46c7ccc(cc7)C(C)(C)C)[C]%15%39#Cc7ccc(cc7)C(C)(C)C)#Cc7ccc(cc7)C(C)(C)C)[Cl]7([Ag]8%11[Au]%14%15%20%23%24%30[Ag]%25%30[Au]%32%33%34%352%47[Ag]2%36%37[Au]%39%46%47%50%51%52%34[Ag]%34(Cl)[Au]%53%54%56%57%58%59%60%47[Ag]%47%615([Au]51%418%52%60[Ag]187[Au]7%41%52%60%23%585[Ag]5(Cl)[Au]%23%58%62%63%64%65%20%52[Ag]%20%52%15([C]%15([Ag]%66%14([Au]%14%67%68%69%24%35%64[Ag]%24(Cl)[Au]%35%64%70%71%72%33%50%68[Ag]%33%32([C]2([Au]%72[C]2#[C](c%32ccc(cc%32)C(C)(C)C)[Ag]%32%352[Au]2%35%50%63%67%71[Au]([C]%63#[C](c%67ccc(cc%67)C(C)(C)C)[Ag]%58%142%63)[C]%32([Ag]2[C]%14([Au]%32[Au]%56%41%62%35([Ag]%35%23%14[C](#[C]%35c%14ccc(cc%14)C(C)(C)C)[Au]%65%15)([Ag]%14%547[C]%32#[C]%14c7ccc(cc7)C(C)(C)C)[Au]7%14%46%57%70%50[Au]([C]%15#[C](c%23ccc(cc%23)C(C)(C)C)[Ag]%39%64%14%15)[C]2([Ag]2%537[C](#[C]2c2ccc(cc2)C(C)(C)C)[Au]%59[C]%471#Cc1ccc(cc1)C(C)(C)C)#Cc1ccc(cc1)C(C)(C)C)#Cc1ccc(cc1)C(C)(C)C)#Cc1ccc(cc1)C(C)(C)C)#Cc1ccc(cc1)C(C)(C)C)([Cl]%25([Ag]%26%43([C]%28([Au]%40[C]%31#[C]%38c1ccc(cc1)C(C)(C)C)#Cc1ccc(cc1)C(C)(C)C)[C](#Cc1ccc(cc1)C(C)(C)C)[Au]%29[C]%169#[C]%17c1ccc(cc1)C(C)(C)C)[Ag]%13%45[Cl]3%18%37)[C]%24([Au]%69[C]%66#Cc1ccc(cc1)C(C)(C)C)#[C]%33c1ccc(cc1)C(C)(C)C)[Cl]%42%30[Ag]%44%48[Cl]%55%11%20)#Cc1ccc(cc1)C(C)(C)C)[C]5([Au]%60[C]8#Cc1ccc(cc1)C(C)(C)C)#[C]%52c1ccc(cc1)C(C)(C)C)[C]%34([Au]%51[C]%36#Cc1ccc(cc1)C(C)(C)C)#[C]%61c1ccc(cc1)C(C)(C)C)[Ag]4%12%49)[C]%21#[C]%19c1ccc(cc1)C(C)(C)C)[Ag]1%27%22[C](#[C]1c1ccc(cc1)C(C)(C)C)[Au]%106)#Cc1ccc(cc1)C(C)(C)C)#Cc1ccc(cc1)C(C)(C)C |
| Title of publication | Evolution from superatomic Au24Ag20 monomers into molecular-like Au43Ag38 dimeric nanoclusters |
| Authors of publication | Xu, Jiayu; Xiong, Lin; Cai, Xiao; Tang, Shisi; Tang, Ancheng; Liu, Xu; Pei, Yong; Zhu, Yan |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 26.1589 ± 0.0015 Å |
| b | 26.1589 ± 0.0015 Å |
| c | 148.875 ± 0.012 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 88225 ± 10 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1317 |
| Residual factor for significantly intense reflections | 0.0714 |
| Weighted residual factors for significantly intense reflections | 0.178 |
| Weighted residual factors for all reflections included in the refinement | 0.216 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277994 (current) | 2022-09-20 | cif/1: Fixing Z values and formulae --Esta linea y las que estan cidebajo seran ignoradas-- M 1/50/17/1501756.cif M 1/55/00/1550096.cif M 1/55/00/1550097.cif M 1/55/10/1551036.cif M 1/55/10/1551093.cif M 1/55/11/1551166.cif M 1/55/12/1551258.cif M 1/55/14/1551470.cif M 1/55/17/1551763.cif M 1/55/18/1551829.cif M 1/55/18/1551858.cif M 1/55/26/1552627.cif M 1/55/29/1552921.cif M 1/55/29/1552935.cif M 1/55/34/1553467.cif M 1/55/36/1553602.cif M 1/55/40/1554076.cif M 1/55/45/1554520.cif M 1/55/46/1554608.cif M 1/55/46/1554630.cif M 1/55/50/1555098.cif M 1/55/55/1555541.cif M 1/55/56/1555698.cif M 1/55/57/1555759.cif M 1/55/62/1556260.cif M 1/55/70/1557018.cif M 1/55/70/1557019.cif M 1/55/78/1557811.cif M 1/55/84/1558435.cif M 1/55/85/1558584.cif M 1/55/86/1558679.cif M 1/55/90/1559044.cif M 1/55/93/1559358.cif M 1/55/94/1559474.cif M 1/55/94/1559475.cif M 1/55/98/1559884.cif M 1/55/99/1559911.cif M 1/56/01/1560138.cif M 1/56/15/1561557.cif M 1/56/22/1562206.cif M 1/56/22/1562220.cif M 1/56/27/1562701.cif M 1/56/31/1563166.cif M 1/56/33/1563318.cif M 1/56/39/1563980.cif M 1/56/40/1564076.cif M 1/56/42/1564245.cif M 1/56/45/1564581.cif M 1/56/46/1564685.cif M 1/56/47/1564708.cif M 1/56/49/1564974.cif M 1/56/50/1565031.cif M 1/56/51/1565186.cif M 1/56/55/1565579.cif M 1/56/56/1565610.cif M 1/56/60/1566073.cif M 1/56/60/1566076.cif M 1/56/63/1566370.cif |
1566370.cif |
| 273011 | 2022-02-18 | cif/ Adding structures of 1566370, 1566371, 1566372, 1566373 via cif-deposit CGI script. |
1566370.cif |
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Users of the data should acknowledge the original authors of the
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