Crystallography Open Database

Information card for entry 4333807

Preview

Coordinates	4333807.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	CAU-8
Formula	C15 H9 Al O6
Calculated formula	C15 H9 Al O6
Title of publication	First Keto-Functionalized Microporous Al-Based Metal-Organic Framework: [Al(OH)(O2C-C6H4-CO-C6H4-CO2)]
Authors of publication	Helge Reinsch; Martin Krüger; Jerome Marrot; Norbert Stock
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	1854 - 1859
a	13.0625 ± 0.0005 Å
b	13.0625 ± 0.0005 Å
c	52.565 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	8969.1 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1752
Residual factor for significantly intense reflections	0.0791
Weighted residual factors for significantly intense reflections	0.1968
Weighted residual factors for all reflections included in the refinement	0.2299
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179441 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/38.	4333807.cif
99615	2014-02-03	cif/ Adding structures of 4333807 via cif-deposit CGI script.	4333807.cif