Crystallography Open Database

Information card for entry 2238854

Preview

Coordinates	2238854.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	[μ~2~-<i>N</i>^2^,<i>N</i>^2'^-Bis(3-methoxy-2-oxidobenzylidene)benzene-1,3-dicarbohydrazidato]bis[pyridinecopper(II)]
Formula	C34 H28 Cu2 N6 O6
Calculated formula	C34 H28 Cu2 N6 O6
SMILES	C1(=N[N]2=Cc3c(c(ccc3)OC)O[Cu]2([n]2ccccc2)O1)c1ccc(C2=N[N]3=Cc4c(c(ccc4)OC)O[Cu]3([n]3ccccc3)O2)cc1
Title of publication	[μ~2~-<i>N</i>^2^,<i>N</i>^2'^-Bis(3-methoxy-2-oxidobenzylidene)benzene-1,3-dicarbohydrazidato]bis[pyridinecopper(II)]
Authors of publication	Tong, Hai-Bin; Xiao, Zi-Jing
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	m658
a	4.8474 ± 0.0002 Å
b	15.2776 ± 0.0006 Å
c	20.5546 ± 0.0006 Å
α	90°
β	96.113 ± 0.004°
γ	90°
Cell volume	1513.55 ± 0.1 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0579
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1222
Weighted residual factors for all reflections included in the refinement	0.1332
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	2238854.cif
92127	2014-01-12	cif/ Adding structures of 2238854 via cif-deposit CGI script.	2238854.cif