Crystallography Open Database

Information card for entry 1559955

Preview

Coordinates	1559955.cif
Original paper (by DOI)	HTML
External links	PubChem

Structure parameters

Formula	C224 H252 Au44 S28
Calculated formula	C224 H252 Au44 S28
SMILES	c1c(cc(cc1[S]1[Au]2[S]([Au]3[S]([Au]4567[Au]89%10%11%12[S](c%13cc(cc(c%13)C)C)[Au]%135[S](c5cc(cc(c5)C)C)[Au]5[S](c%14cc(cc(c%14)C)C)[Au]%14%15%16[Au]%17%18%19%20%21%22[Au]%23%24%25%26%27%289[Au]9%2928[S](c2cc(cc(c2)C)C)[Au][S](c2cc(cc(c2)C)C)[Au]2[S](c8cc(cc(c8)C)C)[Au]8%30%31%322[Au]2%33[S]([Au]%34%35%36%22%26[Au]%22%26%21%25[Au]%21%25%37%14[Au]%14%38%396%10%18%24[Au]6%10%18%244%17%23[Au]4%177%38[S](c7cc(cc(c7)C)C)[Au]7[S](c%23cc(cc(c%23)C)C)[Au]%23[S]([Au]%38%40%15%19%23[Au]%16%2047[S](c4cc(cc(c4)C)C)[Au]4%17[S](c7cc(cc(c7)C)C)[Au]7%15%16%17[Au]%19%20%12%289%18[Au]9%12%18%278%35%10[Au]%33%346([S]([Au]%40[S]([Au]%26%38[S]%37c6cc(cc(c6)C)C)c6cc(cc(c6)C)C)c6cc(cc(c6)C)C)[Au]%244%15%12[S](c4cc(cc(c4)C)C)[Au]%17[S](c4cc(cc(c4)C)C)[Au]4[S]([Au]37%194[Au]%16%20([S](c3cc(cc(c3)C)C)[Au]%31[S]2c2cc(cc(c2)C)C)[Au]1%29%309[Au]%32%36%18[S]([Au][S](c1cc(cc(c1)C)C)[Au]%11%25%39[Au]1%135%21%14[S](c2cc(cc(c2)C)C)[Au]1[S](c1cc(cc(c1)C)C)[Au][S]%22c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)C)C
Title of publication	Cd-driven surface reconstruction and photodynamics in gold nanoclusters
Authors of publication	Liu, Xu; Yao, Guo; Cheng, Xinglian; Xu, Jiayu; Cai, Xiao; Hu, Weigang; Xu, Wen Wu; Zhang, Chunfeng; Zhu, Yan
Journal of publication	Chemical Science
Year of publication	2021
Journal volume	12
Journal issue	9
Pages of publication	3290 - 3294
a	45.692 ± 0.002 Å
b	45.692 ± 0.002 Å
c	77.435 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	140007 ± 11 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0923
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1309
Weighted residual factors for all reflections included in the refinement	0.1596
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1559955.cif
263693	2021-04-05	cif/ Updating files of 1559955, 1559956 Original log message: Adding full bibliography for 1559955--1559956.cif.	1559955.cif
260547	2021-01-06	cif/ Adding structures of 1559955, 1559956 via cif-deposit CGI script.	1559955.cif