Crystallography Open Database

Information card for entry 1568930

Preview

Coordinates	1568930.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C124 H100 Al8 N32 O44
Calculated formula	C124 H108 Al8 N32 O44
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	22.85 ± 0.0003 Å
b	22.85 ± 0.0003 Å
c	14.9095 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	7784.6 ± 0.3 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	5
Space group number	97
Hermann-Mauguin space group symbol	I 4 2 2
Hall space group symbol	I 4 2
Residual factor for all reflections	0.1055
Residual factor for significantly intense reflections	0.0967
Weighted residual factors for significantly intense reflections	0.267
Weighted residual factors for all reflections included in the refinement	0.2804
Goodness-of-fit parameter for all reflections included in the refinement	1.21
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	1568930.cif
282791	2023-04-22	cif/ Adding structures of 1568928, 1568929, 1568930, 1568931 via cif-deposit CGI script.	1568930.cif