Crystallography Open Database

Information card for entry 7207527

7207526 << 7207527 >> 7207528

Preview

Coordinates	7207527.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Poly[[diaquabis(μ~2~-3-cyano-4-dicyanomethylene-5-oxo- 4,5-dihydro-1H-pyrrol-2-olato-κ^2^N^3^:N^3'^)copper(II)] dihydrate]
Formula	C16 H10 Cu N8 O8
Calculated formula	C16 H10 Cu N8 O8
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	18.9657 ± 0.0019 Å
b	10.8842 ± 0.0011 Å
c	11.7477 ± 0.0012 Å
α	90°
β	125.406 ± 0.012°
γ	90°
Cell volume	1976.6 ± 0.5 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 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	0.0408
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1054
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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.	7207527.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207527.cif
52029	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7207527, 7207528, 7207529, 7207530, 7207531, 7207532 via cif-deposit CGI script.	7207527.cif