Crystallography Open Database

Information card for entry 1545119

Preview

Coordinates	1545119.cif
Original paper (by DOI)	HTML
External links	PubChem

Structure parameters

Chemical name	Au34(SC6H11)22
Formula	C132 H242 Au34 S22
Calculated formula	C132 H242 Au34 S22
SMILES	[Au]1234567[Au]89%10%11[Au]%12%13%143[Au]348[Au]48[Au]%15%16%17%10[Au]%10%185([Au]5%19%20%21%221[Au]1%23%24[Au]%25%26%272[Au]2%105([Au]5([Au]%10%28%22%23[Au]%22%23%29([Au]%30%31%329%15%19[Au]%11%16([Au]%12([S]([Au][S]4C4CCCCC4)C4CCCCC4)[S]([Au]%13%211%10%30)C1CCCCC1)[S]([Au]1[Au]4%23%31([Au]([S]%28C9CCCCC9)[S]([Au]([Au]9%29%324[Au]([S]%17C4CCCCC4)[S]9C4CCCCC4)[S]([Au][S]([Au]%18%202%22)C2CCCCC2)C2CCCCC2)C2CCCCC2)[S]1C1CCCCC1)C1CCCCC1)[S]5C1CCCCC1)[S]%27C1CCCCC1)[S]([Au]1[Au]26%25([Au]47%26([Au]([S]%14C5CCCCC5)[S]4C4CCCCC4)[Au]([S]1C1CCCCC1)[S]([Au][S]%24C1CCCCC1)C1CCCCC1)[Au]([S]2C1CCCCC1)[S]3C1CCCCC1)C1CCCCC1)[S]8C1CCCCC1
Title of publication	A novel double-helical-kernel evolution pattern of gold nanoclusters: alternate single-stranded growth at both ends.
Authors of publication	Dong, Hongwei; Liao, Lingwen; Zhuang, Shengli; Yao, Chuanhao; Chen, Jishi; Tian, Shubo; Zhu, Min; Liu, Xu; Li, Lingling; Wu, Zhikun
Journal of publication	Nanoscale
Year of publication	2017
Journal volume	9
Journal issue	11
Pages of publication	3742 - 3746
a	26.0266 ± 0.0007 Å
b	27.9405 ± 0.0008 Å
c	28.5247 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	20743.1 ± 1 Å³
Cell temperature	173 K
Ambient diffraction temperature	172.99 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0537
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1314
Weighted residual factors for all reflections included in the refinement	0.1353
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1545119.cif
195147	2017-04-05	cif/ Updating files of 1545119, 1545120 Original log message: Adding full bibliography for 1545119--1545120.cif.	1545119.cif
190818	2017-01-21	cif/ Adding structures of 1545119, 1545120 via cif-deposit CGI script.	1545119.cif