Crystallography Open Database

Information card for entry 7709548

Preview

Coordinates	7709548.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H22 Br2 Cl2 Cu N7 O7
Calculated formula	C24 H22 Br2 Cl2 Cu N7 O7
SMILES	[Cu]12([n]3c(cccc3Cl)N[N]2=Cc2cc(Br)ccc2O)[N](Nc2[n]1c(Cl)ccc2)=Cc1cc(Br)ccc1O.O.O.N(=O)(=O)[O-]
Title of publication	Discovery of thirteen cobalt (II) and copper (II) salicylaldehyde Schiff base complexes that induce apoptosis and autophagy in human lung adenocarcinoma A549/DDP cells and that can overcome cisplatin resistance in vitro and in vivo
Authors of publication	Chen, Yating; Zhang, Shaonan; Wang, Zhen-Feng; Wei, Qingmin; Zhang, Shuhua
Journal of publication	Dalton Transactions
Year of publication	2022
a	22.6667 ± 0.001 Å
b	7.2097 ± 0.0004 Å
c	21.1442 ± 0.0013 Å
α	90°
β	115.478 ± 0.006°
γ	90°
Cell volume	3119.4 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	5
Hermann-Mauguin space group symbol	I 1 2 1
Hall space group symbol	I 2y
Residual factor for all reflections	0.0686
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.0908
Weighted residual factors for all reflections included in the refinement	0.1021
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
272994 (current)	2022-02-17	cif/ Adding structures of 7709541, 7709542, 7709543, 7709544, 7709545, 7709546, 7709547, 7709548, 7709549, 7709550, 7709551, 7709552, 7709553 via cif-deposit CGI script.	7709548.cif