Crystallography Open Database

Information card for entry 7204601

7204600 << 7204601 >> 7204602

Preview

Coordinates	7204601.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 F4 N4 O72 Si36
Calculated formula	C24 H40 F1.6 O72 Si36
Title of publication	The location of fluoride and organic guests in ?as-made? pure silica zeolites FER and CHA
Authors of publication	Villaescusa, Luis A.; Bull, Ivor; Wheatley, Paul S.; Lightfoot, Philip; Morris, Russell E.
Journal of publication	Journal of Materials Chemistry
Year of publication	2003
Journal volume	13
Journal issue	8
Pages of publication	1978
a	7.3952 ± 0.0015 Å
b	14.099 ± 0.003 Å
c	18.761 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1956.1 ± 0.7 Å³
Cell temperature	210 ± 2 K
Ambient diffraction temperature	210 ± 2 K
Number of distinct elements	6
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for all reflections	0.0539
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1281
Weighted residual factors for all reflections included in the refinement	0.1338
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.6942 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
213973 (current)	2019-03-05	cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries.	7204601.cif
180377	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/46.	7204601.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7204601.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7204601.cif
3890	2010-12-07	cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/.	7204601.cif