Crystallography Open Database

Information card for entry 7721040

Preview

Coordinates	7721040.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H52 Cl4 Cu Fe2 N14 O10 S2
Calculated formula	C62 H52 Cl4 Cu Fe2 N14 O10 S2
Title of publication	New redox-active Cu complexes with tridentate chelating ligands based on 2-thioimidazol-4-ones as potential antiproliferative agents
Authors of publication	Guk, Dmitry A.; Karetnikov, Georgy; Moiseeva, Anna A.; Ipatova, Daria; Alekseechkina, Uliana G.; Skvortsov, Dmitry; Grishin, Y. K.; Tafeenko, Viktor; Lyssenko, Konstantin; Khan, Irina; Pokrovsky, Vadim; Pergushov, Vladimir I.; Beloglazkina, Elena K.
Journal of publication	Dalton Transactions
Year of publication	2026
a	11.6539 ± 0.0004 Å
b	18.4849 ± 0.0006 Å
c	30.32 ± 0.001 Å
α	90°
β	91.854 ± 0.003°
γ	90°
Cell volume	6528.2 ± 0.4 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 K
Number of distinct elements	8
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	0.1269
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.1229
Weighted residual factors for all reflections included in the refinement	0.1448
Goodness-of-fit parameter for all reflections included in the refinement	0.877
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
306052 (current)	2026-05-20	cif/ Adding structures of 7721040 via cif-deposit CGI script.	7721040.cif