Crystallography Open Database

Information card for entry 7218611

Preview

Coordinates	7218611.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8.4 H10.4 Fe N4.6 O1.6
Calculated formula	C6 H5 Fe N4 O
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	14.8424 ± 0.0019 Å
b	6.6238 ± 0.0009 Å
c	11.7467 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	1154.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0774
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1077
Weighted residual factors for all reflections included in the refinement	0.1165
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
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.	7218611.cif
133130	2015-03-06	cif/ Updating files of 7218611, 7218612 Original log message: Adding full bibliography for 7218611--7218612.cif.	7218611.cif
126073	2014-10-31	cif/ Adding structures of 7218611, 7218612 via cif-deposit CGI script.	7218611.cif