Crystallography Open Database

Information card for entry 7217754

Preview

Coordinates	7217754.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H49 Cl Co F2 N8 O14
Calculated formula	C42 H49 Cl Co F2 N8 O14
SMILES	[Co]123([n]4c(c5cccc[n]15)cccc4)([O]=c1c4cc(c(cc4n(CC)cc1C(=O)O2)N1CC[NH2+]CC1)F)[O]=c1c2cc(c(cc2n(CC)cc1C(=O)O3)N1CCNCC1)F.Cl(=O)(=O)(=O)[O-].O.O.O.O
Title of publication	Cu(ii) and Co(ii) ternary complexes of quinolone antimicrobial drug enoxacin and levofloxacin: structure and biological evaluation
Authors of publication	Huang, Wan-Yun; Li, Ji; Kong, Shi-Lin; Wang, Zhong-Chang; Zhu, Hai-Liang
Journal of publication	RSC Advances
Year of publication	2014
Journal volume	4
Journal issue	66
Pages of publication	35193
a	13.2744 ± 0.0014 Å
b	13.713 ± 0.002 Å
c	14.1741 ± 0.0015 Å
α	81.403 ± 0.012°
β	64.381 ± 0.01°
γ	89.639 ± 0.011°
Cell volume	2295.4 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0891
Residual factor for significantly intense reflections	0.0706
Weighted residual factors for significantly intense reflections	0.1941
Weighted residual factors for all reflections included in the refinement	0.2097
Goodness-of-fit parameter for all reflections included in the refinement	1.146
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7217754.cif
121958	2014-08-15	cif/ Adding structures of 7217753, 7217754, 7217755, 7217756 via cif-deposit CGI script.	7217754.cif