Crystallography Open Database

Information card for entry 4119782

4119781 << 4119782 >> 4119783

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Coordinates	4119782.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H18 F6 N26 O78 Y6
Calculated formula	C51.84 H18.24 F6.24 N25.92 O78 Y6
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	23.4365 ± 0.0004 Å
b	23.4365 ± 0.0004 Å
c	23.4365 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	12873 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0414
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.116
Weighted residual factors for all reflections included in the refinement	0.1183
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	1.54178 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.	4119782.cif
103964	2014-03-10	cif/ Adding structures of 4119782 via cif-deposit CGI script.	4119782.cif