Crystallography Open Database

Information card for entry 7236389

Preview

Coordinates	7236389.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H17 Al3 N3 O17.5
Calculated formula	C24 H14.0001 Al3 N3 O17.5
Title of publication	Metal‒organic frameworks to satisfy gas upgrading demands: fine-tuning thesoc-MOF platform for the operative removal of H2S
Authors of publication	Belmabkhout, Youssef; Pillai, Renjith S.; Alezi, Dalal; Shekhah, Osama; Bhatt, Prashant M.; Chen, Zhijie; Adil, Karim; Vaesen, Sebastien; De Weireld, Guy; Pang, Maolin; Suetin, Mikhail; Cairns, Amy J.; Solovyeva, Vera; Shkurenko, Aleksander; El Tall, Omar; Maurin, Guillaume; Eddaoudi, Mohamed
Journal of publication	Journal of Materials Chemistry A
Year of publication	2017
Journal volume	5
Journal issue	7
Pages of publication	3293
a	21.4934 ± 0.0005 Å
b	21.4934 ± 0.0005 Å
c	21.4934 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	9929.2 ± 0.4 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	218
Hermann-Mauguin space group symbol	P -4 3 n
Hall space group symbol	P -4n 2 3
Residual factor for all reflections	0.0344
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0892
Weighted residual factors for all reflections included in the refinement	0.0902
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
235468 (current)	2019-11-23	cif/ Adding structures of 7236389 via cif-deposit CGI script.	7236389.cif