Crystallography Open Database

Information card for entry 7709632

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Coordinates	7709632.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H21 F2 N7 O6 Zn
Calculated formula	C20 H21 F2 N7 O6 Zn
Title of publication	Novel 5-fluorouracil complexes of Zn(II) with pyridine-based ligands as potential anticancer agents
Authors of publication	Icsel, Ceyda; Yilmaz, Veysel T.; Aygün, Muhittin; Erkisa, merve; Ulukaya, Engin
Journal of publication	Dalton Transactions
Year of publication	2022
a	9.5983 ± 0.0004 Å
b	11.3429 ± 0.0006 Å
c	12.5297 ± 0.0006 Å
α	105.715 ± 0.004°
β	95.658 ± 0.004°
γ	110.128 ± 0.004°
Cell volume	1204.87 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0613
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.0855
Weighted residual factors for all reflections included in the refinement	0.0939
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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

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