Crystallography Open Database

Information card for entry 4350805

Preview

Coordinates	4350805.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H21 Cl3 N2 S2
Calculated formula	C26 H20 Cl3 N3 S2
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	8.8561 ± 0.0005 Å
b	12.0837 ± 0.0005 Å
c	12.2241 ± 0.0007 Å
α	67.989 ± 0.005°
β	84.896 ± 0.005°
γ	83.326 ± 0.004°
Cell volume	1203.12 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0592
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0899
Weighted residual factors for all reflections included in the refinement	0.0973
Goodness-of-fit parameter for all reflections included in the refinement	0.788
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.	4350805.cif