Crystallography Open Database

Information card for entry 2241763

Preview

Coordinates	2241763.cif
Structure factors	2241763.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis{(<i>E</i>)-1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-olato}copper(II)
Formula	C32 H16 Br6 Cu N4 O2
Calculated formula	C32 H16 Br6 Cu N4 O2
SMILES	c1(c(cc(cc1Br)Br)Br)[N]1=Nc2c(ccc3c2cccc3)O[Cu]231[N](c1c(cc(cc1Br)Br)[Br]3)=Nc1c(ccc3c1cccc3)O2
Title of publication	Crystal structures of a copper(II) and the isotypic nickel(II) and palladium(II) complexes of the ligand (<i>E</i>)-1-[(2,4,6-tribromophenyl)diazenyl]naphthalen-2-ol
Authors of publication	Chetioui, Souheyla; Rouag, Djamil-Azzeddine; Djukic, Jean-Pierre; Bochet, Christian G.; Touzani, Rachid; Bailly, Corinne; Crochet, Aurélien; Fromm, Katharina M.
Journal of publication	Acta Crystallographica Section E
Year of publication	2016
Journal volume	72
Journal issue	8
Pages of publication	1093 - 1098
a	11.9423 ± 0.0007 Å
b	12.1314 ± 0.001 Å
c	12.8974 ± 0.001 Å
α	90°
β	107.032 ± 0.004°
γ	90°
Cell volume	1786.6 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.115
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1255
Weighted residual factors for all reflections included in the refinement	0.1398
Goodness-of-fit parameter for all reflections included in the refinement	0.957
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
184420 (current)	2016-07-13	cif/ hkl/ Adding structures of 2241763, 2241764, 2241765 via cif-deposit CGI script.	2241763.cif 2241763.hkl