Crystallography Open Database

Information card for entry 7059089

Preview

Coordinates	7059089.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H7 N5 O6 Zn
Calculated formula	C5 H7 N5 O6 Zn
Title of publication	Experimental and theoretical study of photoluminescence and magnetic properties of metal‒organic polymers based on squarate and tetrazolate moieties containing linkers
Authors of publication	Seco, Jose M.; Calahorro, Antonio J.; Sebastian, Eider San; Salinas-Castillo, Alfonso; Colacio, Enrique; Rodríguez-Diéguez, Antonio
Journal of publication	New Journal of Chemistry
Year of publication	2015
Journal volume	39
Journal issue	12
Pages of publication	9926
a	8.1736 ± 0.0008 Å
b	10.0387 ± 0.001 Å
c	11.0871 ± 0.0011 Å
α	90°
β	106.568 ± 0.001°
γ	90°
Cell volume	871.95 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0473
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0897
Weighted residual factors for all reflections included in the refinement	0.0946
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
233461 (current)	2019-11-23	cif/ Adding structures of 7059089, 7059090 via cif-deposit CGI script.	7059089.cif