Crystallography Open Database

Information card for entry 1568931

Preview

Coordinates	1568931.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H88 Al8 N24 O36
Calculated formula	C88 H96 Al8 N24 O36
Title of publication	Accurate binding of porous aluminum molecular ring catalysts with the substrate.
Authors of publication	Luo, Dan; Xiao, Han; Zhang, Min-Yi; Li, Shang-Da; He, Liang; Lv, Hong; Li, Chun-Sen; Lin, Qi-Pu; Fang, Wei-Hui; Zhang, Jian
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	20
Pages of publication	5396 - 5404
a	36.617 ± 0.0003 Å
b	36.617 ± 0.0003 Å
c	36.617 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	49096.2 ± 0.7 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	5
Space group number	211
Hermann-Mauguin space group symbol	I 4 3 2
Hall space group symbol	I 4 2 3
Residual factor for all reflections	0.057
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1355
Weighted residual factors for all reflections included in the refinement	0.1392
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
284230 (current)	2023-06-05	cif/ Updating files of 1568928, 1568929, 1568930, 1568931 Original log message: Adding full bibliography for 1568928--1568931.cif.	1568931.cif
282791	2023-04-22	cif/ Adding structures of 1568928, 1568929, 1568930, 1568931 via cif-deposit CGI script.	1568931.cif