Crystallography Open Database

Information card for entry 7058177

Preview

Coordinates	7058177.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 Fe2 N3 O11
Calculated formula	C18 H19 Fe2 N3 O11
Title of publication	Room temperature synthesis of an Fe(ii)-based porous MOF with multiple open metal sites for high gas adsorption properties
Authors of publication	Kumar, Sushil; Arora, Aayushi; Kaushal, Jolly; Oswal, Preeti; Kumar, Arun; Tomar, Kapil
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	11
Pages of publication	4338
a	29.03 ± 0.02 Å
b	18.12 ± 0.011 Å
c	14.06 ± 0.01 Å
α	90°
β	113.699 ± 0.014°
γ	90°
Cell volume	6772 ± 8 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1096
Residual factor for significantly intense reflections	0.0694
Weighted residual factors for significantly intense reflections	0.182
Weighted residual factors for all reflections included in the refinement	0.2112
Goodness-of-fit parameter for all reflections included in the refinement	0.97
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
224976 (current)	2019-11-08	cif/ Updating files of 7058177 Original log message: Adding full bibliography for 7058177.cif.	7058177.cif
213679	2019-02-16	cif/ Adding structures of 7058177 via cif-deposit CGI script.	7058177.cif