Crystallography Open Database

Information card for entry 4115682

Preview

Coordinates	4115682.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H34 F2 N2 O66 Si32
Calculated formula	C28 H34 F2 N2 O66 Si32
Title of publication	The Location and Ordering of Fluoride Ions in Pure Silica Zeolites with Framework Types IFR and STF; Implications for the Mechanism of Zeolite Synthesis in Fluoride Media
Authors of publication	Luis A. Villaescusa; Paul S. Wheatley; Ivor Bull; Philip Lightfoot; Russell E. Morris
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	8797 - 8805
a	18.571 ± 0.0008 Å
b	13.4943 ± 0.0006 Å
c	7.7153 ± 0.0003 Å
α	90°
β	102.302 ± 0.001°
γ	90°
Cell volume	1889.08 ± 0.14 Å³
Cell temperature	30 ± 2 K
Ambient diffraction temperature	30 ± 2 K
Number of distinct elements	6
Space group number	8
Hermann-Mauguin space group symbol	I 1 m 1
Hall space group symbol	I -2y
Residual factor for all reflections	0.0505
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1294
Weighted residual factors for all reflections included in the refinement	0.1325
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.6448 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178927 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/56.	4115682.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115682.cif
69403	2012-12-14	cif/ Adding structures of 4115682 via cif-deposit CGI script.	4115682.cif