Crystallography Open Database

Information card for entry 4123573

Preview

Coordinates	4123573.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H24 O38 Tb6
Calculated formula	C72 H24 O38 Tb6
Title of publication	Tunable Rare Earth fcu-MOF Platform: Access to Adsorption Kinetics Driven Gas/Vapor Separations via Pore Size Contraction.
Authors of publication	Xue, Dong-Xu; Belmabkhout, Youssef; Shekhah, Osama; Jiang, Hao; Adil, Karim; Cairns, Amy J.; Eddaoudi, Mohamed
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	15
Pages of publication	5034 - 5040
a	21.6843 ± 0.0003 Å
b	21.6843 ± 0.0003 Å
c	21.6843 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	10196.2 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0479
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1264
Weighted residual factors for all reflections included in the refinement	0.1278
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4123573.cif
138207	2015-06-05	cif/ Updating files of 4123571, 4123572, 4123573 Original log message: Adding full bibliography for 4123571--4123573.cif.	4123573.cif
136273	2015-05-13	cif/ Adding structures of 4123573 via cif-deposit CGI script.	4123573.cif