Crystallography Open Database

Information card for entry 1574031

Preview

Coordinates	1574031.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C192 H216 Au36 S24
Calculated formula	C192 H186 Au36 S24
SMILES	[Au]1[S]([Au]234[Au]5[S]([Au]6[Au]789%10[Au]([S]([Au][S]([Au]%11%12%13%14[Au]%15%16%178[Au]8%18([Au]%19%20%21[Au]%22%238([Au]8%11%18%19[Au]%11%18%19%12[Au]%12%24([Au]%25%26%27%11[Au]%11%28%292[Au]([S]%27c2cc(c(cc2)C)C)[S]([Au]([Au]2%27%30%31[Au]([S]([Au][S]([Au]%32%148%19[Au]8%20%27([Au]%144%282[Au]37%15%11[Au]9%16%12[S]([Au]%13[S]([Au]([Au]2%18%24%25[Au]([S]([Au][S]%29c3cc(c(cc3)C)C)c3ccc(c(c3)C)C)[S]2c2cc(c(cc2)C)C)[S]([Au]%26%308%14)c2cc(c(cc2)C)C)c2ccc(c(c2)C)C)c2ccc(c(c2)C)C)[S]([Au]%23%32[S]([Au]%22[S]%17c2ccc(c(c2)C)C)c2cc(c(cc2)C)C)c2cc(c(cc2)C)C)c2cc(c(cc2)C)C)c2cc(c(cc2)C)C)[S]%31c2ccc(c(c2)C)C)[S]%21c2cc(c(cc2)C)C)c2cc(c(cc2)C)C)[S]6c2ccc(c(c2)C)C)[S]([Au][S]1c1cc(c(cc1)C)C)c1cc(c(cc1)C)C)[S]5c1cc(c(cc1)C)C)c1cc(c(cc1)C)C)c1cc(c(cc1)C)C)[S]%10c1cc(c(cc1)C)C)c1ccc(c(c1)C)C)c1cc(c(cc1)C)C
Title of publication	Efficient synthesis of Au<sub>36</sub>(SR)<sub>24</sub> nanoclusters <i>via</i> the cluster-from-cluster approach.
Authors of publication	Lin, Yan-Yan; Nan, Zi-Ang; Lei, Zhen; Wang, Quan-Ming
Journal of publication	Nanoscale
Year of publication	2025
Journal volume	17
Journal issue	14
Pages of publication	8724 - 8730
a	19.579 ± 0.0007 Å
b	30.2707 ± 0.0011 Å
c	37.2286 ± 0.0011 Å
α	90°
β	94.218 ± 0.003°
γ	90°
Cell volume	22004.5 ± 1.3 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2292
Residual factor for significantly intense reflections	0.0882
Weighted residual factors for significantly intense reflections	0.166
Weighted residual factors for all reflections included in the refinement	0.241
Goodness-of-fit parameter for all reflections included in the refinement	0.914
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298981 (current)	2025-04-05	cif/ Updating files of 1574029, 1574030, 1574031, 1574032, 1574033, 1574034, 1574035 Original log message: Adding full bibliography for 1574029--1574035.cif.	1574031.cif
297929	2025-03-01	cif/ Adding structures of 1574029, 1574030, 1574031, 1574032, 1574033, 1574034, 1574035 via cif-deposit CGI script.	1574031.cif