Crystallography Open Database

Information card for entry 1567722

Preview

Coordinates	1567722.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C146 H104 Au8 O4 P6 S2
Calculated formula	C146 H104 Au8 O4 P6 S2
SMILES	[Au]1234[Au]5678[Au]9%10([Au]%115[Au]%10([S]([Au]279[Au]16[P](c1ccccc1)(c1c(c2c5c(ccc2[P]8(c2ccccc2)c2ccccc2)cccc5)c2c(cc1)cccc2)c1ccccc1)c1ccccc1C(=O)[O-])[P](c1ccccc1)(c1ccccc1)c1ccc2c(c1c1c([P]%11(c5ccccc5)c5ccccc5)ccc5ccccc15)cccc2)[S]([Au]3[P](c1c(c2ccccc2cc1)c1c([P]4(c2ccccc2)c2ccccc2)ccc2ccccc12)(c1ccccc1)c1ccccc1)c1c(C(=O)[O-])cccc1
Title of publication	Bicarbonate insertion triggered self-assembly of chiral octa-gold nanoclusters into helical superstructures in the crystalline state
Authors of publication	Si, Wei-Dan; Sheng, Kai; Zhang, Chengkai; Wang, Zhi; Zhang, Shan-Shan; Dou, Jian-Min; Feng, Lei; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di
Journal of publication	Chemical Science
Year of publication	2022
Journal volume	13
Journal issue	35
Pages of publication	10523 - 10531
a	20.5564 ± 0.0014 Å
b	25.7288 ± 0.0016 Å
c	26.0976 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	13802.8 ± 1.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1107
Weighted residual factors for all reflections included in the refinement	0.1122
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation probe	x-ray
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
278357 (current)	2022-10-05	cif/ Adding structures of 1567721, 1567722, 1567723, 1567724 via cif-deposit CGI script.	1567722.cif