Crystallography Open Database

Information card for entry 7210894

Preview

Coordinates	7210894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H46 Co8 N18 O33
Calculated formula	C27 H9 Co8 N18 O25
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	13.739 ± 0.002 Å
b	24.301 ± 0.003 Å
c	15.179 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5067.8 ± 1.2 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.2517
Residual factor for significantly intense reflections	0.0827
Weighted residual factors for significantly intense reflections	0.2059
Weighted residual factors for all reflections included in the refinement	0.2383
Goodness-of-fit parameter for all reflections included in the refinement	0.581
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7210894.cif
90143	2013-11-17	cif/ Adding structures of 7210893, 7210894 via cif-deposit CGI script.	7210894.cif