Crystallography Open Database

Information card for entry 4517341

Preview

Coordinates	4517341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H12 Cl Cu N3 O5
Calculated formula	C19 H12 Cl Cu N3 O5
SMILES	[Cu]12(ON(=O)=O)(Oc3ccc(Cl)cc3C=[O]1)[n]1cccc3c1c1[n]2cccc1cc3
Title of publication	Antiproliferative Activities of Diimine-Based Mixed Ligand Copper(II) Complexes.
Authors of publication	Kordestani, Nazanin; Rudbari, Hadi Amiri; Fernandes, Alexandra R.; Raposo, Luís R; Baptista, Pedro V.; Ferreira, Daniela; Bruno, Giuseppe; Bella, Giovanni; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Blacque, Olivier
Journal of publication	ACS combinatorial science
Year of publication	2020
a	7.7692 ± 0.0007 Å
b	10.2212 ± 0.001 Å
c	11.985 ± 0.0014 Å
α	88.69 ± 0.007°
β	79.375 ± 0.009°
γ	70.875 ± 0.008°
Cell volume	883.07 ± 0.16 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0559
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1151
Weighted residual factors for all reflections included in the refinement	0.123
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
247207 (current)	2020-01-25	cif/ Adding structures of 4517341 via cif-deposit CGI script.	4517341.cif