Crystallography Open Database

Information card for entry 7712563

Preview

Coordinates	7712563.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H28 Cu F2 N8 O8
Calculated formula	C32 H22 Cu F2 N8 O5
SMILES	[Cu]12(N3C(=O)NC=C(F)C3=O)([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13.Fc1c([O-])[nH]c(=O)nc1.O
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	13.1277 ± 0.0013 Å
b	19.623 ± 0.003 Å
c	24.848 ± 0.003 Å
α	90°
β	95.728 ± 0.01°
γ	90°
Cell volume	6369 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.1655
Residual factor for significantly intense reflections	0.1103
Weighted residual factors for significantly intense reflections	0.264
Weighted residual factors for all reflections included in the refinement	0.2998
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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.	7712563.cif