Crystallography Open Database

Information card for entry 7054245

Preview

Coordinates	7054245.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H26 Cu2 N6 O8
Calculated formula	C28 H26 Cu2 N6 O8
SMILES	c12C=[N]3[Cu]4([O](c2cccc1)[Cu]12([O]4c4c(C=[N]2[C@@H](c2cccc[n]12)C)cccc4)ON(=O)=O)(ON(=O)=O)[n]1ccccc1[C@@H]3C
Title of publication	Effect of non-covalent interaction on the diastereoselective self-assembly of Cu(ii) complexes containing a racemic Schiff base in a chiral self-discriminating process
Authors of publication	Jena, Himanshu Sekhar
Journal of publication	New Journal of Chemistry
Year of publication	2014
Journal volume	38
Journal issue	6
Pages of publication	2486
a	8.2841 ± 0.0004 Å
b	8.9822 ± 0.0004 Å
c	9.6248 ± 0.0004 Å
α	86.725 ± 0.003°
β	82.846 ± 0.002°
γ	81.578 ± 0.002°
Cell volume	702.39 ± 0.05 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0131
Residual factor for significantly intense reflections	0.013
Weighted residual factors for significantly intense reflections	0.1081
Weighted residual factors for all reflections included in the refinement	0.1082
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
180096 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/42.	7054245.cif
116094	2014-06-07	cif/ Adding structures of 7054245, 7054246, 7054247, 7054248, 7054249 via cif-deposit CGI script.	7054245.cif