Crystallography Open Database

Information card for entry 4113637

Preview

Coordinates	4113637.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	O72 Si36
Calculated formula	O72 Si36
Title of publication	An X-ray Diffraction and MAS NMR Study of the Thermal Expansion Properties of Calcined Siliceous Ferrierite
Authors of publication	Ivor Bull; Philip Lightfoot; Luis A. Villaescusa; Lucy M. Bull; Richard K. B. Gover; John S. O. Evans; Russell E. Morris
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	4342 - 4349
a	7.429 ± 0.006 Å
b	14.067 ± 0.011 Å
c	18.765 ± 0.014 Å
α	90°
β	90°
γ	90°
Cell volume	1961 ± 3 Å³
Cell temperature	408 ± 2 K
Ambient diffraction temperature	408 ± 2 K
Number of distinct elements	2
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	0.2154
Residual factor for significantly intense reflections	0.0998
Weighted residual factors for significantly intense reflections	0.1981
Weighted residual factors for all reflections included in the refinement	0.2281
Goodness-of-fit parameter for all reflections included in the refinement	1.167
Diffraction radiation wavelength	0.6883 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178907 (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 4/11/36.	4113637.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113637.cif
66903	2012-09-17	cif/ Adding structures of 4113637 via cif-deposit CGI script.	4113637.cif