Crystallography Open Database

Information card for entry 7205859

7205858 << 7205859 >> 7205860

Preview

Coordinates	7205859.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 Cu2 N4 O5
Calculated formula	C14 H14 Cu2 N4 O5
SMILES	[OH2][Cu]12[NH]=C3c4c(O[Cu]5([NH]=C(c6c(O2)cccc6)[N]1=[N]35)[OH2])cccc4.O
Title of publication	Novel ligands and complexes in situ generated from the copper-mediated conversions of 2,5-bis(2-hydroxyphenyl)-1,3,4-oxadiazole: structures and magnetic properties
Authors of publication	Fang, Zhen-Lan; Yu, Rong-Min; Zhang, Jie; Lu, Can-Zhong
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	12
Pages of publication	4032
a	20.435 ± 0.003 Å
b	4.9321 ± 0.0004 Å
c	15.875 ± 0.002 Å
α	90°
β	105.577 ± 0.005°
γ	90°
Cell volume	1541.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0672
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1552
Weighted residual factors for all reflections included in the refinement	0.1672
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
180389 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/58.	7205859.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205859.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205859.cif
21035	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7205858, 7205859 via cif-deposit CGI script.	7205859.cif