Crystallography Open Database

Information card for entry 7208761

7208760 << 7208761 >> 7208762

Preview

Coordinates	7208761.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H6 Br2 Cd N2 O4
Calculated formula	C12 H6 Br2 Cd N2 O4
Title of publication	Novel metal‒organic frameworks based on 5-bromonicotinic acid: Multifunctional materials with H2 purification capabilities
Authors of publication	Calahorro, Antonio J.; López-Viseras, Marta E.; Salinas-Castillo, Alfonso; Fairen-Jimenez, David; Colacio, Enrique; Cano, Joan; Rodríguez-Diéguez, Antonio
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	20
Pages of publication	6390
a	11.2814 ± 0.0012 Å
b	9.9474 ± 0.0011 Å
c	13.2863 ± 0.0015 Å
α	90°
β	108.784 ± 0.001°
γ	90°
Cell volume	1411.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0423
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0723
Weighted residual factors for all reflections included in the refinement	0.0772
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
180418 (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 7/20/87.	7208761.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208761.cif
71470	2013-01-20	cif/ Adding structures of 7208761, 7208762 via cif-deposit CGI script.	7208761.cif