Crystallography Open Database

Information card for entry 1567721

Preview

Coordinates	1567721.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C148 H108 Au8 O10 P6 S2
Calculated formula	C148 H108 Au8 O10 P6 S2
SMILES	[Au]12[Au]34([Au]56[Au]783[Au]345([Au]47([Au]5([Au]34[P](c3ccccc3)(c3ccccc3)c3ccc4c(cccc4)c3c3c4c(ccc3[P]5(c3ccccc3)c3ccccc3)cccc4)[S]8c3c(cccc3)C(=O)O)[S]1c1c(C(=O)O)cccc1)[P](c1ccccc1)(c1ccc3ccccc3c1c1c3c(ccc1[P]6(c1ccccc1)c1ccccc1)cccc3)c1ccccc1)[P](c1ccccc1)(c1c(c3c([P]2(c2ccccc2)c2ccccc2)ccc2c3cccc2)c2ccccc2cc1)c1ccccc1.[O-]C(=O)O.OC(=O)[O-]
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	18.8119 ± 0.0002 Å
b	27.697 ± 0.0002 Å
c	31.3398 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	16329.1 ± 0.3 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 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	0.0918
Residual factor for significantly intense reflections	0.0815
Weighted residual factors for significantly intense reflections	0.2257
Weighted residual factors for all reflections included in the refinement	0.2437
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation probe	x-ray
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
278357 (current)	2022-10-05	cif/ Adding structures of 1567721, 1567722, 1567723, 1567724 via cif-deposit CGI script.	1567721.cif