Crystallography Open Database

Information card for entry 4119784

4119783 << 4119784 >> 4119785

Preview

Coordinates	4119784.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H42 F6 N24 O26 Tb6
Calculated formula	C84 H42.24 F6.24 N24 O26 Tb6
Title of publication	Tunable Rare-Earth fcu-MOFs: A Platform for Systematic Enhancement of CO2 Adsorption Energetics and Uptake
Authors of publication	Dong-Xu Xue; Amy J. Cairns; Youssef Belmabkhout; Lukasz Wojtas; Yunling Liu; Mohamed H. Alkordi; Mohamed Eddaoudi
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	7660 - 7667
a	29.5957 ± 0.0003 Å
b	29.5957 ± 0.0003 Å
c	29.5957 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	25923 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.0264
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.0715
Weighted residual factors for all reflections included in the refinement	0.0724
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
178968 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/97.	4119784.cif
103966	2014-03-10	cif/ Adding structures of 4119784 via cif-deposit CGI script.	4119784.cif