Crystallography Open Database

Information card for entry 2238706

Preview

Coordinates	2238706.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Di-μ-hydroxido-κ^4^<i>O</i>:<i>O</i>-di-μ-perchlorato-κ^4^<i>O</i>:<i>O</i>'-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]
Formula	C20 H18 Cl2 Cu2 N4 O10
Calculated formula	C20 H18 Cl2 Cu2 N4 O10
SMILES	c12c3cccc[n]3[Cu]34([n]2cccc1)[OH][Cu]14([n]2c(c4cccc[n]14)cccc2)[OH]3.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
Title of publication	Di-μ-hydroxido-κ^4^<i>O</i>:<i>O</i>-di-μ-perchlorato-κ^4^<i>O</i>:<i>O</i>'-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]
Authors of publication	Saravanan, B.; Jayamani, A.; Sengottuvelan, N.; Chakkaravarthi, G.; Manivannan, V.
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	11
Pages of publication	m600
a	13.6014 ± 0.0012 Å
b	15.2064 ± 0.0013 Å
c	6.2738 ± 0.0006 Å
α	90°
β	113.587 ± 0.003°
γ	90°
Cell volume	1189.19 ± 0.19 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0321
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0728
Weighted residual factors for all reflections included in the refinement	0.077
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238706.cif
91096	2013-12-09	cif/ Adding structures of 2238706 via cif-deposit CGI script.	2238706.cif