Crystallography Open Database

Information card for entry 1512815

Preview

Coordinates	1512815.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H20 Co N8 O12
Calculated formula	C28 H20 Co N8 O12
SMILES	[Co]12([n]3cn(cc3)Cc3ccc(Cn4c[n]([Co]56([O]=C(O5)c5cc(N(=O)=O)cc(N(=O)=O)c5)[O]=C(O6)c5cc(N(=O)=O)cc(N(=O)=O)c5)cc4)cc3)([O]=C(O1)c1cc(N(=O)=O)cc(N(=O)=O)c1)([n]1cn(cc1)Cc1ccc(Cn3cncc3)cc1)[O]=C(O2)c1cc(N(=O)=O)cc(N(=O)=O)c1
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	22.432 ± 0.004 Å
b	6.2562 ± 0.0012 Å
c	11.1 ± 0.002 Å
α	90°
β	99.851 ± 0.003°
γ	90°
Cell volume	1534.8 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0928
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1806
Weighted residual factors for all reflections included in the refinement	0.2012
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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.	1512815.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512815.cif
90959	2013-11-21	cif/ Adding structures of 1512815 via cif-deposit CGI script.	1512815.cif