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Information card for entry 4123542
Preview
Coordinates | 4123542.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C180 H116 Ag20 Au24 Cl2 N4 O4 S4 |
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Calculated formula | C180 H116 Ag20 Au24 Cl2 N4 S4 |
SMILES | [C]1(#Cc2ccccc2)[Ag]2[n]3c([S]4[Ag]5[Au]6789[Au]%10%11%12[Au]%13%14%15%16[Ag]%17%18%19[S]%20c%21[n]([Ag]%22[Au]%23%24%25%13[Au]%13%26%276[Ag]6%28[Cl][Ag]%29([C](#Cc%30ccccc%30)([Ag]%30%29[C]%29(#Cc%31ccccc%31)[Ag]%31[C](#[C]%31c%31ccccc%31)[Au][C](#Cc%31ccccc%31)[Ag]%31[S]([Au][C]%28([Ag]6[C](#Cc6ccccc6)([Ag]6[C](#[C]6c6ccccc6)[Au][C]%19([Ag]([C](#Cc6ccccc6)([Ag]6[C](#[C]6c6ccccc6)[Au][C]5#Cc5ccccc5)[Au]1)[C]1([Ag]5([Ag]6[C]([Ag][C]%19(#Cc%28ccccc%28)[Ag]%28[C](#[C]%28c%28ccccc%28)[Au][C]%30([Ag]%28%17%23[S](c%17[n]([Ag]([Au]%23%30%14%18[Au]%14%18%325[Au]2%10%31([Au]8%13%14[Au]%24%26%28%23%18)[Au]%11%156%30%32)[C](#Cc2ccccc2)[Au]%19)cccc%17)[Au]1)#Cc1ccccc1)([Au]4)#Cc1ccccc1)Cl)#Cc1ccccc1)#Cc1ccccc1)[Au][C]%22#Cc1ccccc1)#Cc1ccccc1)c1[n]([Ag]7[C](#Cc2ccccc2)[Au]%29)cccc1)[Au]%20)[Au]9%12%16%25%27)cccc%21)cccc3 |
Title of publication | An Intermetallic Au24Ag20 Superatom Nanocluster Stabilized by Labile Ligands. |
Authors of publication | Wang, Yu; Su, Haifeng; Xu, Chaofa; Li, Gang; Gell, Lars; Lin, Shuichao; Tang, Zichao; Häkkinen, Hannu; Zheng, Nanfeng |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2015 |
Pages of publication | 150327131618002 |
a | 20.9728 ± 0.0005 Å |
b | 18.7149 ± 0.0005 Å |
c | 25.7811 ± 0.0007 Å |
α | 90° |
β | 97.335 ± 0.003° |
γ | 90° |
Cell volume | 10036.4 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100.15 K |
Number of distinct elements | 8 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.079 |
Residual factor for significantly intense reflections | 0.0696 |
Weighted residual factors for significantly intense reflections | 0.1867 |
Weighted residual factors for all reflections included in the refinement | 0.1932 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179037 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/35. |
4123542.cif |
134461 | 2015-03-28 | cif/ Adding structures of 4123542 via cif-deposit CGI script. |
4123542.cif |
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Users of the data should acknowledge the original authors of the
structural data.