Crystallography Open Database

Information card for entry 4338115

Preview

Coordinates	4338115.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	CAU-13(p-xylene)
Formula	C48 Al4 O20
Calculated formula	C48 Al4 O20
Title of publication	Conformation-Controlled Sorption Properties and Breathing of the Aliphatic Al-MOF [Al(OH)(CDC)].
Authors of publication	Niekiel, Felicitas; Lannoeye, Jeroen; Reinsch, Helge; Munn, Alexis S.; Heerwig, Andreas; Zizak, Ivo; Kaskel, Stefan; Walton, Richard I.; de Vos, Dirk; Llewellyn, Philip; Lieb, Alexandra; Maurin, Guillaume; Stock, Norbert
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	9
Pages of publication	4610 - 4620
a	13.2246 ± 0.0016 Å
b	17.8923 ± 0.0018 Å
c	11.08364 ± 0.00092 Å
α	90°
β	89.801 ± 0.018°
γ	90°
Cell volume	2622.6 ± 0.5 Å³
Ambient diffraction temperature	298 K
Ambient diffracton pressure	1013 kPa
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
205493 (current)	2018-01-23	cif/ Removing the _chemical_name_mineral data item that contains an empty value from multiple files.	4338115.cif
179484	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 4/33/81.	4338115.cif
115764	2014-06-05	cif/ Updating files of 4338112, 4338113, 4338114, 4338115 Original log message: Adding full bibliography for 4338112--4338115.cif.	4338115.cif
109417	2014-04-12	cif/ Adding structures of 4338115 via cif-deposit CGI script.	4338115.cif