Crystallography Open Database

Information card for entry 4340196

Preview

Coordinates	4340196.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H21 Cu N3 O5
Calculated formula	C19 H19.355 Cu N3 O5
Title of publication	Mono-, di-, and oligonuclear complexes of Cu(II) ions and p-hydroquinone ligands: syntheses, electrochemical properties, and magnetic behavior.
Authors of publication	Margraf, Günter; Kretz, Tonia; Fabrizi de Biani, Fabrizia; 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	13.112 ± 0.002 Å
b	15.205 ± 0.0018 Å
c	18.5276 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	3693.8 ± 0.8 Å³
Cell temperature	146 ± 2 K
Ambient diffraction temperature	146 ± 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	0.0823
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.0926
Weighted residual factors for all reflections included in the refinement	0.1067
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179504 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/01.	4340196.cif
118671	2014-06-30	cif/ Adding structures of 4340196 via cif-deposit CGI script.	4340196.cif