Crystallography Open Database

Information card for entry 4350801

Preview

Coordinates	4350801.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H19 Cu F6 N3 O6 S4
Calculated formula	C27 H19 Cu F6 N3 O6 S4
SMILES	[Cu]1234[S](c5c6[n]2cccc6ccc5)Cc2[n]1c(C[S]4c1c4[n]3cccc4ccc1)ccc2.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
Title of publication	Crystal structures and biological activities of a symmetrical quinoline thioether ligand and its transition metal complexes
Authors of publication	Zou, Xun-Zhong; Zhang, Jing-An; Zhang, Li-Jie; Liu, Ya-Jie; Li, Ning; Li, Yu; Wei, Shi-Chao; Pan, Mei
Journal of publication	Inorganic Chemistry Communications
Year of publication	2015
Journal volume	54
Pages of publication	21 - 24
a	14.681 ± 0.005 Å
b	12.152 ± 0.005 Å
c	18.122 ± 0.005 Å
α	90 ± 0.005°
β	113.895 ± 0.005°
γ	90 ± 0.005°
Cell volume	2955.9 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0688
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.0967
Weighted residual factors for all reflections included in the refinement	0.1012
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
272313 (current)	2022-01-28	cif/ Adding structures of 4350801, 4350802, 4350803, 4350804, 4350805 via cif-deposit CGI script.	4350801.cif