Crystallography Open Database

Information card for entry 1563793

Preview

Coordinates	1563793.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 Cu N4 O8
Calculated formula	C16 H16 Cu N4 O8
SMILES	[Cu]123(OC(=O)C[NH]3CC(=O)O1)[n]1cccc3cc(N(=O)=O)c4ccc[n]2c4c13.O.O
Title of publication	Development of copper(II)-diimine-iminodiacetate mixed ligand complexes as potential antitumor agents
Authors of publication	Alvarez, Natalia; Mendes, Luis F.S.; Kramer, M. Gabriela; Torre, María H.; Costa-Filho, Antonio J.; Ellena, Javier; Facchin, Gianella
Journal of publication	Inorganica Chimica Acta
Year of publication	2018
Journal volume	483
Pages of publication	61 - 70
a	6.8648 ± 0.0002 Å
b	10.3356 ± 0.0003 Å
c	11.782 ± 0.0003 Å
α	92.323 ± 0.001°
β	91.115 ± 0.001°
γ	93.777 ± 0.001°
Cell volume	833.25 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0425
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0955
Weighted residual factors for all reflections included in the refinement	0.1005
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
266807 (current)	2021-06-30	cif/ Adding structures of 1563793 via cif-deposit CGI script.	1563793.cif