Crystallography Open Database

Information card for entry 7129534

Preview

Coordinates	7129534.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H88 Ag3 Cl2 Cu2 P S6
Calculated formula	C58 H88 Ag3 Cl2 Cu2 P S6
SMILES	[Ag]1[S]([Cu]2[S]([Ag][S]([Cu]([S]1C1CCCCC1)[S]([Ag][S]2C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1.ClCCl.[P+](CCC)(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	14.0658 ± 0.0005 Å
b	23.512 ± 0.0011 Å
c	20.5437 ± 0.0009 Å
α	90°
β	95.858 ± 0.003°
γ	90°
Cell volume	6758.6 ± 0.5 Å³
Cell temperature	190.01 ± 0.1 K
Ambient diffraction temperature	190.01 ± 0.1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1056
Residual factor for significantly intense reflections	0.0625
Weighted residual factors for significantly intense reflections	0.1505
Weighted residual factors for all reflections included in the refinement	0.1751
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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.	7129534.cif
271986	2022-01-12	cif/ Adding structures of 7129533, 7129534, 7129535, 7129536, 7129537, 7129538 via cif-deposit CGI script.	7129534.cif