Crystallography Open Database

Information card for entry 1563795

Preview

Coordinates	1563795.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H25 Cu N3 O8
Calculated formula	C16 H25 Cu N3 O8
SMILES	[Cu]123([n]4c(c5[n]1ccc(c5)C)cc(cc4)C)OC(=O)C[NH]3CC(=O)O2.O.O.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	8.0498 ± 0.0011 Å
b	10.8189 ± 0.0017 Å
c	12.5674 ± 0.0014 Å
α	67.215 ± 0.007°
β	88.141 ± 0.005°
γ	84.128 ± 0.008°
Cell volume	1003.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0513
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0953
Weighted residual factors for all reflections included in the refinement	0.0996
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
266809 (current)	2021-06-30	cif/ Adding structures of 1563795 via cif-deposit CGI script.	1563795.cif