Crystallography Open Database

Information card for entry 7210893

Preview

Coordinates	7210893.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H10 N4 O8 Zn2
Calculated formula	C9 H8 N4 O7 Zn2
Title of publication	Luminescence and magnetic properties of three metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand
Authors of publication	Calahorro, Antonio J.; Salinas-Castillo, Alfonso; Seco, José Manuel; Zuñiga, Javier; Colacio, Enrique; Rodríguez-Diéguez, Antonio
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	38
Pages of publication	7636
a	7.711 ± 0.003 Å
b	8.959 ± 0.003 Å
c	9.103 ± 0.003 Å
α	88.46 ± 0.005°
β	88.793 ± 0.004°
γ	74.567 ± 0.005°
Cell volume	605.9 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0535
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1011
Weighted residual factors for all reflections included in the refinement	0.1098
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
180439 (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 7/21/08.	7210893.cif
90143	2013-11-17	cif/ Adding structures of 7210893, 7210894 via cif-deposit CGI script.	7210893.cif