Crystallography Open Database

Information card for entry 7059037

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Coordinates	7059037.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	6,6'-((1E,1'E)-(ethane-1,2-diylbis(azaneylylidene))bis(methaneylylidene))bis(3-(diethylamino)phenolato) copper (II) monohydrate
Formula	C24 H34 Cu N4 O3
Calculated formula	C24 H34 Cu N4 O3
Title of publication	Diethylaminophenyl-based Schiff base Cu(II) and V(IV) complexes: experimental and theoretical study and cytotoxicity assays
Authors of publication	Rocha, Mariana; Ruiz, María Carolina; Echeverría, Gustavo A.; Piro, Oscar E.; Leon, Ignacio; Di Virgilio, Ana Laura; Frontera, Antonio; Gil, Diego Mauricio
Journal of publication	New Journal of Chemistry
Year of publication	2019
a	19.5737 ± 0.0008 Å
b	9.8513 ± 0.0004 Å
c	12.4452 ± 0.0004 Å
α	90°
β	93.654 ± 0.003°
γ	90°
Cell volume	2394.88 ± 0.16 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0474
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.1035
Weighted residual factors for all reflections included in the refinement	0.1098
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
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
227688 (current)	2019-11-13	cif/ Adding structures of 7059036, 7059037 via cif-deposit CGI script.	7059037.cif