Crystallography Open Database

Information card for entry 1516824

Preview

Coordinates	1516824.cif

Structure parameters

Formula	C26 H20 Cu N6 O4
Calculated formula	C26 H20 Cu N6 O4
SMILES	[Cu]1234(OC(=N[N]3=Cc3[n]1cccc3)c1ccccc1O)OC(=N[N]4=Cc1[n]2cccc1)c1c(O)cccc1
Title of publication	Mononuclear and binuclear Cu(II) complexes of some tridentate aroyl hydrazones. X-ray crystal structures of a mononuclear and a binuclear complex
Authors of publication	Satyajit Mondal; Sumita Naskar; Ayan Kumar Dey; Ekkehard Sinn; Carla Eribal; Steven R. Herron; Shyamal Kumar Chattopadhyay
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	398
Pages of publication	98 - 105
a	12.576 ± 0.0001 Å
b	17.8297 ± 0.0001 Å
c	10.7632 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	2413.39 ± 0.03 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	41
Hermann-Mauguin space group symbol	A b a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0295
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0868
Weighted residual factors for all reflections included in the refinement	0.0882
Goodness-of-fit parameter for all reflections included in the refinement	0.836
Diffraction radiation wavelength	0.71073 Å
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.	1516824.cif
118987	2014-07-04	cif/ Adding structures of 1516824 via cif-deposit CGI script.	1516824.cif