Crystallography Open Database

Information card for entry 7700740

Preview

Coordinates	7700740.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H12 Cl2 Cu N4 S2
Calculated formula	C20 H12 Cl2 Cu N4 S2
Title of publication	Copper(ii) complexes with 2,2':6',2''-terpyridine, 2,6-di(thiazol-2-yl)pyridine and 2,6-di(pyrazin-2-yl)pyridine substituted with quinolines. Synthesis, structure, antiproliferative activity, and catalytic activity in the oxidation of alkanes and alcohols with peroxides.
Authors of publication	Choroba, Katarzyna; Machura, Barbara; Kula, Slawomir; Raposo, Luis R.; Fernandes, Alexandra R.; Kruszynski, Rafal; Erfurt, Karol; Shul'pina, Lidia S.; Kozlov, Yuriy N.; Shul'pin, Georgiy B.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	33
Pages of publication	12656 - 12673
a	23.3543 ± 0.0015 Å
b	11.0536 ± 0.0006 Å
c	7.7194 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1992.8 ± 0.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0338
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0609
Weighted residual factors for all reflections included in the refinement	0.064
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
223985 (current)	2019-11-07	cif/ Updating files of 7700737, 7700738, 7700739, 7700740, 7700741, 7700742 Original log message: Adding full bibliography for 7700737--7700742.cif.	7700740.cif
217445	2019-08-07	cif/ Adding structures of 7700737, 7700738, 7700739, 7700740, 7700741, 7700742 via cif-deposit CGI script.	7700740.cif