Crystallography Open Database

Information card for entry 7224116

Preview

Coordinates	7224116.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(1,10-phenanthroline)-bis(flumequinato)-cobalt(II)‒methanol‒water(1/1.6/0.4)
Chemical name	(1,10-phenanthroline)-bis(7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylato)-cobalt(II)‒methanol‒water(1/1.6/0.4)
Formula	C41.6 H37.2 Co F2 N4 O8
Calculated formula	C41.6 H36.4 Co F2 N4 O8
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	11.4479 ± 0.0004 Å
b	10.027 ± 0.0003 Å
c	18.5359 ± 0.0007 Å
α	90°
β	114.92 ± 0.003°
γ	90°
Cell volume	1929.61 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0754
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1766
Weighted residual factors for all reflections included in the refinement	0.1887
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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.	7224116.cif