Crystallography Open Database

Information card for entry 2238631

Preview

Coordinates	2238631.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis{μ-2-methoxy-6-[(methylimino)methyl]phenolato}bis({2-methoxy-6-[(methylimino)methyl]phenolato}copper(II))
Formula	C36 H40 Cu2 N4 O8
Calculated formula	C36 H40 Cu2 N4 O8
SMILES	[Cu]123([N](=Cc4c(c(ccc4)OC)O2)C)[N](C)=Cc2cccc(OC)c2[O]1[Cu]12([O]3c3c(cccc3C=[N]1C)OC)[N](=Cc1c(c(ccc1)OC)O2)C
Title of publication	Bis{μ-2-methoxy-6-[(methylimino)methyl]phenolato}bis({2-methoxy-6-[(methylimino)methyl]phenolato}copper(II))
Authors of publication	Sydoruk, Tetyana V.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Vassilyeva, Olga Yu.; Skelton, Brian W.
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	10
Pages of publication	m551 - m552
a	10.1889 ± 0.0012 Å
b	15.2033 ± 0.0005 Å
c	21.6254 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3349.9 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0449
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0789
Weighted residual factors for all reflections included in the refinement	0.0835
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	2238631.cif
89573	2013-11-06	cif/ Adding structures of 2238631 via cif-deposit CGI script.	2238631.cif