Crystallography Open Database

Information card for entry 7207531

7207530 << 7207531 >> 7207532

Preview

Coordinates	7207531.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	diacetonitrile(3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrol-2- olato)copper(I)
Formula	C12 H7 Cu N6 O2
Calculated formula	C12 H7 Cu N6 O2
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	5.3101 ± 0.0007 Å
b	15.741 ± 0.001 Å
c	8.506 ± 0.0001 Å
α	90°
β	105.2 ± 0.01°
γ	90°
Cell volume	686.11 ± 0.11 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0338
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0836
Weighted residual factors for all reflections included in the refinement	0.0854
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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.	7207531.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207531.cif
52029	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7207527, 7207528, 7207529, 7207530, 7207531, 7207532 via cif-deposit CGI script.	7207531.cif