Crystallography Open Database

Information card for entry 1517963

Preview

Coordinates	1517963.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	F0.5 O32.5 Si16
Calculated formula	F0.5 O32.5 Si16
Title of publication	ITQ-54: a multi-dimensional extra-large pore zeolite with 20 ×14 ×12-ring channels
Authors of publication	Jiang, Jiuxing; Yun, Yifeng; Zou, Xiaodong; Jorda, Jose Luis; Corma, Avelino
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	1
Pages of publication	480
a	26.585 ± 0.0003 Å
b	24.926 ± 0.0003 Å
c	15.939 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	10562.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Number of distinct elements	3
Space group number	71
Hermann-Mauguin space group symbol	I m m m
Hall space group symbol	-I 2 2
Residual factor for all reflections	0.3174
Residual factor for significantly intense reflections	0.2892
Weighted residual factors for significantly intense reflections	0.5607
Weighted residual factors for all reflections included in the refinement	0.6068
Goodness-of-fit parameter for all reflections included in the refinement	3.133
Diffraction radiation wavelength	0.0197 Å
Diffraction radiation type	Electron200kV
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1517963.cif
130968	2015-02-04	cif/ Updating files of 1517963 Original log message: Adding full bibliography for 1517963.cif.	1517963.cif
125123	2014-10-09	cif/ Adding structures of 1517963 via cif-deposit CGI script.	1517963.cif