Crystallography Open Database

Information card for entry 7239926

Preview

Coordinates	7239926.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 Cl2 Cu N4 O4 S2
Calculated formula	C18 H22 Cl2 Cu N4 O4 S2
Title of publication	Two groups of copperII pyridine‒triazole complexes with “open or close” pepper rings and their in vitro antitumor activities
Authors of publication	Hong, ZhaoGuo; Zheng, Chu; Luo, Bi; You, Xin; Bian, HeDong; Liang, Hong; Chen, ZhenFeng; Huang, FuPing
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	11
Pages of publication	6297 - 6305
a	9.6197 ± 0.0012 Å
b	22.809 ± 0.003 Å
c	13.0632 ± 0.0012 Å
α	90°
β	127.446 ± 0.006°
γ	90°
Cell volume	2275.6 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0325
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.0842
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
258132 (current)	2020-10-06	cif/ Updating files of 7239922, 7239923, 7239924, 7239925, 7239926, 7239927 Original log message: Adding full bibliography for 7239922--7239927.cif.	7239926.cif
248066	2020-02-12	cif/ Adding structures of 7239922, 7239923, 7239924, 7239925, 7239926, 7239927 via cif-deposit CGI script.	7239926.cif