Crystallography Open Database

Information card for entry 7129535

Preview

Coordinates	7129535.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H74 Ag3 Cu2 P S6
Calculated formula	C48 H74 Ag3 Cu2 P S6
SMILES	[Ag]1[S]([Cu]2[S]([Ag][S]([Cu]([S]1C(C)(C)C)[S]([Ag][S]2C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C.[P+](c1ccccc1)(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	12.542 ± 0.0007 Å
b	12.5516 ± 0.0007 Å
c	19.3067 ± 0.001 Å
α	103.801 ± 0.004°
β	93.205 ± 0.004°
γ	97.26 ± 0.004°
Cell volume	2916.2 ± 0.3 Å³
Cell temperature	190.01 ± 0.1 K
Ambient diffraction temperature	190.01 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0753
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1415
Weighted residual factors for all reflections included in the refinement	0.1553
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	7129535.cif
271986	2022-01-12	cif/ Adding structures of 7129533, 7129534, 7129535, 7129536, 7129537, 7129538 via cif-deposit CGI script.	7129535.cif