Crystallography Open Database

Information card for entry 8000193

Preview

Coordinates	8000193.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 Cu N2 O4
Calculated formula	C26 H18 Cu N2 O4
SMILES	[Cu]12(Oc3ccccc3C=[N]1c1cc(O)ccc1)Oc1ccccc1C=[N]2c1cc(O)ccc1
Title of publication	The Copper(II) Complex with Two Didentate Schiff Base Ligands. The Unique Rearrangment that Proceeds under Alcohol Vapor in the Solid State to Construct Noninclusion Structure
Authors of publication	Shibuya, Yuhki; Nabari, Keiko; Kondo, Mitsuru; Yasue, Sachie; Maeda, Kenji; Uchida, Fumio; Kawaguchi, Hiroyuki
Journal of publication	Chemistry Letters
Year of publication	2008
Journal volume	37
Journal issue	1
Pages of publication	78
a	9.826 ± 0.006 Å
b	15.11 ± 0.03 Å
c	15.174 ± 0.009 Å
α	90°
β	93.008 ± 0.018°
γ	90°
Cell volume	2250 ± 5 Å³
Cell temperature	293.1 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 significantly intense reflections	0.085
Weighted residual factors for all reflections included in the refinement	0.2352
Goodness-of-fit parameter for all reflections included in the refinement	1.373
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176466 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8000193.cif
94326	2014-01-22	cif/ Adding structures of 8000192, 8000193 via cif-deposit CGI script.	8000193.cif