Crystallography Open Database

Information card for entry 7121806

Preview

Coordinates	7121806.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H60 N3 O38.5 Y6
Calculated formula	C55.0006 H51.5 N3.0003 O37.5 Y6
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	25.1402 ± 0.0007 Å
b	25.1402 ± 0.0007 Å
c	25.1402 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	15889.4 ± 0.8 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	204
Hermann-Mauguin space group symbol	I m -3
Hall space group symbol	-I 2 2 3
Residual factor for all reflections	0.1496
Residual factor for significantly intense reflections	0.1252
Weighted residual factors for significantly intense reflections	0.3101
Weighted residual factors for all reflections included in the refinement	0.3342
Goodness-of-fit parameter for all reflections included in the refinement	1.169
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.	7121806.cif