Crystallography Open Database

Information card for entry 4119786

4119785 << 4119786 >> 4119787

Preview

Coordinates	4119786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H42 F6 O38 Tb6
Calculated formula	C96 H42.24 F6.24 O38 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	27.5127 ± 0.0012 Å
b	27.5127 ± 0.0012 Å
c	27.5127 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	20825.7 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.042
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.1105
Weighted residual factors for all reflections included in the refinement	0.1125
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	4119786.cif
103969	2014-03-10	cif/ Adding structures of 4119786 via cif-deposit CGI script.	4119786.cif