Crystallography Open Database

Information card for entry 7709553

Preview

Coordinates	7709553.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H24.5 Cu N6 O5.25
Calculated formula	C25 H24.5 Cu N6 O5.25
SMILES	[Cu]123(Oc4c(C=N2=Nc2[n]3c(ncc2)OC)cccc4OC)[n]2c3c4[n]1cccc4ccc3ccc2.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	16.3685 ± 0.0006 Å
b	19.8394 ± 0.0005 Å
c	17.318 ± 0.0005 Å
α	90°
β	117.66 ± 0.004°
γ	90°
Cell volume	4981.2 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0706
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.0943
Weighted residual factors for all reflections included in the refinement	0.1122
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
294865 (current)	2024-09-24	cif/7: Fixing Z values and formulae	7709553.cif
272994	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.	7709553.cif