Crystallography Open Database

Information card for entry 7118952

Preview

Coordinates	7118952.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H24 Co N6 O4.25
Calculated formula	C32 H24 Co N6 O4.25
SMILES	c1ccc2c3[n]([Co]4([n]5ccccc5)([n]5c6c(cccc6ccc5N)O4)([n]4ccccc4)O2)c(N)ccc13.O.O.CO.CCOCC.CCOCC
Title of publication	Cobalt(ii) 8-hydroxyquinoline complexes: structure, cytotoxicity and action mechanism
Authors of publication	Zhang, Hai-Rong; Huang, Ke-Bin; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Meng, Ting; Qin, Qi-Pin; Zou, Bi-Qun; Liang, Hong
Journal of publication	Med. Chem. Commun.
Year of publication	2016
Journal volume	7
Journal issue	5
Pages of publication	806
a	17.9171 ± 0.0008 Å
b	17.9171 ± 0.0008 Å
c	17.1784 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	5514.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	126
Hermann-Mauguin space group symbol	P 4/n n c
Hall space group symbol	-P 4a 2bc
Residual factor for all reflections	0.1187
Residual factor for significantly intense reflections	0.0793
Weighted residual factors for significantly intense reflections	0.2405
Weighted residual factors for all reflections included in the refinement	0.2728
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
183716 (current)	2016-06-18	cif/ Updating files of 7118950, 7118951, 7118952 Original log message: Adding full bibliography for 7118950--7118952.cif.	7118952.cif
180701	2016-04-02	cif/ Adding structures of 7118950, 7118951, 7118952 via cif-deposit CGI script.	7118952.cif