Crystallography Open Database

Information card for entry 1545120

Preview

Coordinates	1545120.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Au42(SC6H11)26
Formula	C156 H286 Au42 S26
Calculated formula	C156 H283 Au42 S26
SMILES	[Au]1234567[Au]89%10%11[Au]%12%13%14%15[Au]%16%17%18%19%20%218[Au]8%22%23%24%25[Au]%26%27%28%29%30%16[Au]%16%31%32%23[Au]%23%332[Au]2%34%355[Au]5([Au]%36%374%10[Au]439%16[Au]39%27[Au]%10%16%27%26[Au]([S]([Au]%26%16[Au]%16%24%28%31[Au]%24%28%21%30([Au]%21%30%17[Au]%17%18%24([Au]([S]([Au]%18%24%25%21[Au]%21%25%3118[Au]1%22%18([Au]8%18%22[Au]%38%39%21([Au]([S]%18C%18CCCCC%18)[S]([Au]%11%13%20%24[Au]%31%39([Au]7%36%38([Au]6%23%34%2518[S]%22C1CCCCC1)[S]5C1CCCCC1)[S]([Au]([Au]([S]9C1CCCCC1)[S]%37C1CCCCC1)[S]%15C1CCCCC1)C1CCCCC1)C1CCCCC1)[S]([Au][S]([Au][S]%35C1CCCCC1)C1CCCCC1)C1CCCCC1)[S]([Au]([Au]([S]%16C1CCCCC1)[S]%33C1CCCCC1)[S]%30C1CCCCC1)C1CCCCC1)C1CCCCC1)[S]([Au]%14%17[S]([Au]%12%19%293%10%28)C1CCCCC1)C1CCCCC1)[S]([Au][S]([Au][S]%27C1CCCCC1)C1CCCCC1)C1CCCCC1)[S]%26C1CCCCC1)C1CCCCC1)[S]4C1CCCCC1)[S]([Au]2[S]%32C1CCCCC1)C1CCCCC1
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	20.6257 ± 0.0011 Å
b	20.7452 ± 0.0011 Å
c	30.3877 ± 0.0016 Å
α	78.427 ± 0.003°
β	80.789 ± 0.003°
γ	62.667 ± 0.002°
Cell volume	11281.4 ± 1.1 Å³
Cell temperature	173 K
Ambient diffraction temperature	172.99 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1989
Residual factor for significantly intense reflections	0.1663
Weighted residual factors for significantly intense reflections	0.3875
Weighted residual factors for all reflections included in the refinement	0.4088
Goodness-of-fit parameter for all reflections included in the refinement	1.514
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
195147 (current)	2017-04-05	cif/ Updating files of 1545119, 1545120 Original log message: Adding full bibliography for 1545119--1545120.cif.	1545120.cif
190818	2017-01-21	cif/ Adding structures of 1545119, 1545120 via cif-deposit CGI script.	1545120.cif