Crystallography Open Database

Information card for entry 1571518

Preview

Coordinates	1571518.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H26 Al3 O16
Calculated formula	C29 H26 Al3 O16
Title of publication	A robust aluminum-octacarboxylate framework with <b>scu</b> topology for selective capture of sulfur dioxide.
Authors of publication	Yu, Liang; He, Meng; Yao, Jinze; Xia, Qibin; Yang, Sihai; Li, Jing; Wang, Hao
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	22
Pages of publication	8530 - 8535
a	21.5005 ± 0.0006 Å
b	21.5005 ± 0.0006 Å
c	28.4908 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	13170.5 ± 0.7 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	139
Hermann-Mauguin space group symbol	I 4/m m m
Hall space group symbol	-I 4 2
Residual factor for all reflections	0.0857
Residual factor for significantly intense reflections	0.079
Weighted residual factors for significantly intense reflections	0.236
Weighted residual factors for all reflections included in the refinement	0.2429
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
292866 (current)	2024-07-05	cif/ Updating files of 1571517, 1571518 Original log message: Adding full bibliography for 1571517--1571518.cif.	1571518.cif
291436	2024-05-02	cif/ Adding structures of 1571517, 1571518 via cif-deposit CGI script.	1571518.cif