Crystallography Open Database

Information card for entry 2020913

2020912 << 2020913 >> 2020914

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Structure parameters

Chemical name	(Pyridin-2-one-κ<i>O</i>)bis(4,4,4-trifluoro-3-oxo-1-phenylbutan-1-olato-κ^2^<i>O</i>,<i>O</i>')copper(II)
Formula	C25 H17 Cu F6 N O5
Calculated formula	C25 H17 Cu F6 N O5
SMILES	[Cu]12(OC(=CC(=[O]1)c1ccccc1)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O2)c1ccccc1)[O]=c1[nH]cccc1
Title of publication	Copper(II) bis(4,4,4-trifluoro-1-phenylbutane-1,3-dionate) complexes with pyridin-2-one, 3-hydroxypyridine and 3-hydroxypyridin-2-one ligands: molecular structures and hydrogen-bonded networks
Authors of publication	Perdih, Franc
Journal of publication	Acta Crystallographica Section C
Year of publication	2017
Journal volume	73
Journal issue	11
Pages of publication	960 - 967
a	10.5928 ± 0.0005 Å
b	10.7082 ± 0.0005 Å
c	12.4943 ± 0.0006 Å
α	69.019 ± 0.004°
β	71.705 ± 0.004°
γ	88.11 ± 0.003°
Cell volume	1251.32 ± 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	0.109
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1182
Goodness-of-fit parameter for all reflections included in the refinement	0.986
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
205311 (current)	2018-01-17	cif/ hkl/ Adding structures of 2020913, 2020914, 2020915 via cif-deposit CGI script.	2020913.cif 2020913.hkl