Crystallography Open Database

Information card for entry 7121807

Preview

Coordinates	7121807.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56.5 H59 N9.5 O36.75 Tb6
Calculated formula	C56.496 H52.484 N9.996 O36.75 Tb6
Title of publication	Topology meets MOF chemistry for pore-aperture fine tuning: ftw-MOF platform for energy-efficient separations via adsorption kinetics or molecular sieving
Authors of publication	Xue, Dong-Xu; Cadiau, Amandine; Weseliński, Łukasz J.; Jiang, Hao; Bhatt, Prashant M.; Shkurenko, Aleksander; Wojtas, Lukasz; Zhijie, Chen; Belmabkhout, Youssef; Adil, Karim; Eddaoudi, Mohamed
Journal of publication	Chemical Communications
Year of publication	2018
a	18.232 ± 0.001 Å
b	18.232 ± 0.001 Å
c	45.607 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	13129 ± 1.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0513
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1154
Weighted residual factors for all reflections included in the refinement	0.1187
Goodness-of-fit parameter for all reflections included in the refinement	1.118
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
208150 (current)	2018-06-06	cif/ Adding structures of 7121806, 7121807 via cif-deposit CGI script.	7121807.cif