Crystallography Open Database

Information card for entry 7224117

Preview

Coordinates	7224117.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(di(2-pyridyl)amine-N,N')-bis(flumequinato-O,O')-cobalt(II)‒hydrate
Chemical name	(di(2-pyridyl)amine-N,N')-bis(7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylato-O,O')-cobalt(II)‒hydrate
Formula	C38 H33 Co F2 N5 O7
Calculated formula	C38 H31 Co F2 N5 O7
Title of publication	Structure and biological perspectives of metal complexes of flumequine
Authors of publication	Tsitsa, Ifigenia; Tarushi, Alketa; Doukoume, Panagiota; Perdih, Franc; de Almeida, Andreia; Papadopoulos, Athanasios; Kalogiannis, Stavros; Casini, Angela; Turel, Iztok; Psomas, George L.
Journal of publication	RSC Adv.
Year of publication	2016
a	11.5948 ± 0.001 Å
b	24.2372 ± 0.0015 Å
c	12.5448 ± 0.0009 Å
α	90°
β	101.391 ± 0.008°
γ	90°
Cell volume	3456 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1013
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.1676
Weighted residual factors for all reflections included in the refinement	0.1914
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
175459 (current)	2016-02-03	cif/ Adding structures of 7224115, 7224116, 7224117 via cif-deposit CGI script.	7224117.cif