Crystallography Open Database

Information card for entry 1512814

Preview

Coordinates	1512814.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H44 Br4 Co2 N8 O8
Calculated formula	C56 H44 Br4 Co2 N8 O8
SMILES	Brc1ccc(C(=O)O[Co]2(OC(=O)c3ccc(Br)cc3)[n]3ccn(c3)Cc3ccc(cc3)Cn3c[n]([Co](OC(=O)c4ccc(Br)cc4)(OC(=O)c4ccc(Br)cc4)[n]4cn(cc4)Cc4ccc(cc4)Cn4c[n]2cc4)cc3)cc1
Title of publication	Ligand-controlled assembly of cobalt(II) metal-organic complexes from different semirigid bis(imidazole) derivatives and aromatic monocarboxylates: Electrochemical behaviors and fluorescent properties
Authors of publication	Lian-Li Liu; Jing-Jing Huang; Xiu-Li Wang; Guo-Cheng Liu; Song Yang; Hong-Yan Lin
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	394
Pages of publication	715 - 722
a	10.076 ± 0.002 Å
b	12.75 ± 0.003 Å
c	13.189 ± 0.003 Å
α	64.037 ± 0.003°
β	80.602 ± 0.003°
γ	68.594 ± 0.003°
Cell volume	1418.3 ± 0.5 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	0.077
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1714
Weighted residual factors for all reflections included in the refinement	0.1839
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512814.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512814.cif
90958	2013-11-21	cif/ Adding structures of 1512814 via cif-deposit CGI script.	1512814.cif