Crystallography Open Database

Information card for entry 7207529

7207528 << 7207529 >> 7207530

Preview

Coordinates	7207529.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tetraaquabis(3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2- olato)copper(II) half-hydrate
Formula	C16 H10 Cu N8 O9
Calculated formula	C16 H10 Cu N8 O9
Title of publication	The luminescent properties of structures built from 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate and copper(I,II) cations
Authors of publication	Gurskiy, Stanislav I.; Tafeenko, Viktor A.
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	8
Pages of publication	2721
a	5.4 ± 0.002 Å
b	8.849 ± 0.003 Å
c	11.531 ± 0.005 Å
α	88.24 ± 0.02°
β	77.28 ± 0.02°
γ	82.33 ± 0.03°
Cell volume	532.7 ± 0.4 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0523
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1401
Weighted residual factors for all reflections included in the refinement	0.143
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
180406 (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 7/20/75.	7207529.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207529.cif
52029	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7207527, 7207528, 7207529, 7207530, 7207531, 7207532 via cif-deposit CGI script.	7207529.cif