Crystallography Open Database

Information card for entry 7218612

Preview

Coordinates	7218612.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H9 Ga N4 O3
Calculated formula	C6 Ga N4 O3
Title of publication	Fe/Ga-CFA-6‒ metal organic frameworks featuring trivalent metal centers and the 4,4′-bipyrazolyl ligand
Authors of publication	Spirkl, Sebastian; Grzywa, Maciej; Zehe, Christoph S.; Senker, Jürgen; Demeshko, Serhiy; Meyer, Franc; Riegg, Stefan; Volkmer, Dirk
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	2
Pages of publication	313
a	14.8281 ± 0.0016 Å
b	6.4872 ± 0.0005 Å
c	11.3503 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	1091.82 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	74
Hermann-Mauguin space group symbol	I m m a
Hall space group symbol	-I 2b 2
Residual factor for all reflections	0.0683
Residual factor for significantly intense reflections	0.0683
Weighted residual factors for all reflections	0.0962
Weighted residual factors for significantly intense reflections	0.0962
Goodness-of-fit parameter for all reflections	3.02
Method of determination	powder diffraction
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7218612.cif
133130	2015-03-06	cif/ Updating files of 7218611, 7218612 Original log message: Adding full bibliography for 7218611--7218612.cif.	7218612.cif
126073	2014-10-31	cif/ Adding structures of 7218611, 7218612 via cif-deposit CGI script.	7218612.cif