Crystallography Open Database

Information card for entry 7129536

Preview

Coordinates	7129536.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H88 Ag3 Cl4 Cu2 P S6
Calculated formula	C57 H88 Ag3 Cl4 Cu2 P S6
SMILES	[Ag]1[S]([Cu]2[S]([Ag][S]([Cu]([S]1C1CCCCC1)[S]([Ag][S]2C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1.ClCCl.ClCCl.[P+](C)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Controllable spontaneous resolution in ultrasmall Cu-Ag bimetallic cluster ion pairs from achiral components.
Authors of publication	He, Jiao; Deng, Cheng-Long; Sun, Cun-Fa; Zhang, Xiao-Xiao; Cui, Ying; Wu, Sheng-Hui; Luo, Geng-Geng
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2022
Journal volume	58
Journal issue	10
Pages of publication	1577 - 1580
a	13.8063 ± 0.0004 Å
b	14.8132 ± 0.0005 Å
c	18.4926 ± 0.0006 Å
α	74.687 ± 0.003°
β	84.949 ± 0.002°
γ	72.84 ± 0.003°
Cell volume	3485.2 ± 0.2 Å³
Cell temperature	190 ± 0.1 K
Ambient diffraction temperature	190 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.086
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1298
Weighted residual factors for all reflections included in the refinement	0.1464
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation probe	x-ray
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
272557 (current)	2022-02-04	cif/ Updating files of 7129533, 7129534, 7129535, 7129536, 7129537, 7129538 Original log message: Adding full bibliography for 7129533--7129538.cif.	7129536.cif
271986	2022-01-12	cif/ Adding structures of 7129533, 7129534, 7129535, 7129536, 7129537, 7129538 via cif-deposit CGI script.	7129536.cif