Crystallography Open Database

Information card for entry 4321130

Preview

Coordinates	4321130.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H26 Cl2 Cu N2 Na0 O7
Calculated formula	C30 H26 Cl2 Cu N2 O7
SMILES	[Cu]1([n]2c3c4[n]1cccc4ccc3ccc2)(OC(=O)COc1ccc(Cl)cc1C)(OC(=O)COc1ccc(Cl)cc1C)[OH2]
Title of publication	Structurally Diverse Copper(II)-Carboxylato Complexes: Neutral and Ionic Mononuclear Structures and a Novel Binuclear Structure
Authors of publication	George Psomas; Catherine P. Raptopoulou; Lykourgos Iordanidis; Catherine Dendrinou-Samara; Vassilis Tangoulis; Dimitris P. Kessissoglou
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	3042 - 3048
a	8.7419 ± 0.0008 Å
b	12.5122 ± 0.0012 Å
c	14.5978 ± 0.0014 Å
α	110.737 ± 0.001°
β	95.742 ± 0.002°
γ	103.286 ± 0.002°
Cell volume	1424.1 ± 0.2 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 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 all reflections	0.0878
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.0839
Weighted residual factors for all reflections included in the refinement	0.0971
Goodness-of-fit parameter for all reflections included in the refinement	0.552
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179314 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/11.	4321130.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321130.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321130.cif
18478	2011-04-30	../uploads/cif-deposit/cod/cif Adding structures of 4321130 via cif-deposit CGI script.	4321130.cif