Crystallography Open Database

Information card for entry 4331557

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Coordinates	4331557.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 Cu N4 O4
Calculated formula	C12 H12 Cu0.836 N4 O4
Title of publication	Mono-, Di-, and Oligonuclear Complexes of CuIIIons andp-Hydroquinone Ligands: Syntheses, Electrochemical Properties, and Magnetic Behavior
Authors of publication	Margraf, Günter; Kretz, Tonia; de Biani, Fabrizia Fabrizi; Laschi, Franco; Losi, Serena; Zanello, Piero; Bats, Jan W.; Wolf, Bernd; Remović-Langer, Katarina; Lang, Michael; Prokofiev, Andrei; Assmus, Wolf; Lerner, Hans-Wolfram; Wagner, Matthias
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	3
Pages of publication	1277 - 1288
a	8.3167 ± 0.0013 Å
b	4.8505 ± 0.0007 Å
c	15.561 ± 0.002 Å
α	90°
β	94.108 ± 0.007°
γ	90°
Cell volume	626.12 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1578
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.1047
Weighted residual factors for all reflections included in the refinement	0.127
Goodness-of-fit parameter for all reflections included in the refinement	0.922
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
179418 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/15.	4331557.cif
97701	2014-01-29	cif/ Adding structures of 4331557 via cif-deposit CGI script.	4331557.cif