Crystallography Open Database

Information card for entry 7712560

Preview

Coordinates	7712560.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H13 Cl Cu F N5 O2
Calculated formula	C19 H13 Cl Cu F N5 O2
SMILES	[Cu]12(Cl)(N3C(=O)NC(=O)C(F)=C3)[n]3ccccc3c3[n]1c(ccc3)c1[n]2cccc1
Title of publication	Water-soluble copper(II) 5-fluorouracil complexes bearing polypyridyl co-ligands: Synthesis, structures and anticancer activity
Authors of publication	Icsel, Ceyda; Yilmaz, Veysel T.; Aygün, Muhittin; Erkisa, Merve; Ulukaya, Engin
Journal of publication	Dalton Transactions
Year of publication	2023
a	11.6071 ± 0.0009 Å
b	13.0317 ± 0.0014 Å
c	12.3107 ± 0.0011 Å
α	90°
β	91.472 ± 0.008°
γ	90°
Cell volume	1861.5 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0679
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1032
Weighted residual factors for all reflections included in the refinement	0.1142
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
281784 (current)	2023-03-10	cif/ Adding structures of 7712559, 7712560, 7712561, 7712562, 7712563 via cif-deposit CGI script.	7712560.cif