Crystallography Open Database

Information card for entry 7219979

7219978 << 7219979 >> 7219980

Preview

Coordinates	7219979.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H8 Cl Cu2 N4 O3
Calculated formula	C8 H8 Cl Cu2 N4 O3
Title of publication	New binuclear Copper(II) Coordination Polymer based on Mixed Pyrazolic and Oxalate Ligands: Structural Characterization and Mechanical Properties
Authors of publication	Lopez_Marzo, Adaris; Guerrero, Miguel; Font-Bardia, Merce; Calvet, Teresa; Pellicer, Eva; Baro, Dolors; Pons, Josefina; Sort, Jordi
Journal of publication	RSC Adv.
Year of publication	2015
a	10.5078 ± 0.0007 Å
b	9.1266 ± 0.0006 Å
c	11.7875 ± 0.0008 Å
α	90°
β	99.869 ± 0.003°
γ	90°
Cell volume	1113.7 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0232
Residual factor for significantly intense reflections	0.0208
Weighted residual factors for significantly intense reflections	0.0545
Weighted residual factors for all reflections included in the refinement	0.0559
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
180530 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/99.	7219979.cif
134334	2015-03-24	cif/ Adding structures of 7219979 via cif-deposit CGI script.	7219979.cif