Crystallography Open Database

Information card for entry 4135394

Preview

Coordinates	4135394.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Fe-THQ
Chemical name	Fe-THQ
Formula	C18 Fe4 O24
Calculated formula	C18 Fe4 O24
Title of publication	Valence-Dependent Electrical Conductivity in a 3D Tetrahydroxyquinone-Based Metal-Organic Framework.
Authors of publication	Chen, Gan; Gee, Leland B.; Xu, Wenqian; Zhu, Yanbing; Lezama-Pacheco, Juan S; Huang, Zhehao; Li, Zongqi; Babicz, Jr, Jeffrey T; Choudhury, Snehashis; Chang, Ting-Hsiang; Reed, Evan; Solomon, Edward I.; Bao, Zhenan
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	51
Pages of publication	21243 - 21248
a	10.5457 ± 0.0002 Å
b	10.5457 ± 0.0002 Å
c	10.5457 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1172.81 ± 0.04 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Ambient diffracton pressure	101 kPa
Number of distinct elements	3
Space group number	200
Hermann-Mauguin space group symbol	P m -3
Hall space group symbol	-P 2 2 3
RFsqd	0.0695
Goodness-of-fit parameter for all reflections	4.485
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.44811 Å
Diffraction radiation type	Synchrotronmono-beam
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
260421 (current)	2021-01-04	cif/ Updating files of 4135394 Original log message: Adding full bibliography for 4135394.cif.	4135394.cif
259876	2020-12-15	cif/ Adding structures of 4135394 via cif-deposit CGI script.	4135394.cif