Crystallography Open Database

Information card for entry 7023669

Preview

Coordinates	7023669.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H24 Cl2 Cu N5 O6 S0
Calculated formula	C31 H24 Cl2 Cu N5 O6
Title of publication	Stacking of metal chelating rings with π-systems in mononuclear complexes of copper(ii) with 3,6-dichloro-2,5-dihydroxy-1,4-benzoquinone (chloranilic acid) and 2,2'-bipyridine ligands.
Authors of publication	Molčanov, Krešimir; Jurić, Marijana; Kojić-Prodić, Biserka
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	44
Pages of publication	15756 - 15765
a	10.2366 ± 0.0009 Å
b	13.1074 ± 0.0009 Å
c	13.4361 ± 0.0012 Å
α	63.309 ± 0.008°
β	68.186 ± 0.008°
γ	81.456 ± 0.007°
Cell volume	1495 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.102
Weighted residual factors for all reflections included in the refinement	0.2627
Goodness-of-fit parameter for all reflections included in the refinement	0.886
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179941 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/36.	7023669.cif
90601	2013-11-18	cif/ Adding structures of 7023665, 7023666, 7023667, 7023668, 7023669 via cif-deposit CGI script.	7023669.cif