Crystallography Open Database

Information card for entry 4510252

Preview

Coordinates	4510252.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C0.38 O48.76 Si24
Calculated formula	C0.379 O48.758 Si24
Title of publication	Adsorption Process of CO2 on Silicalite-1 Zeolite Using Single-Crystal X-ray Method.
Authors of publication	Fujiyama, Shinjiro; Kamiya, Natsumi; Nishi, Koji; Yokomori, Yoshinobu
Journal of publication	Langmuir : the ACS journal of surfaces and colloids
Year of publication	2014
Journal volume	30
Journal issue	13
Pages of publication	3749
a	13.32 ± 0.02 Å
b	20 ± 0.03 Å
c	19.77 ± 0.03 Å
α	90°
β	90.03 ± 0.03°
γ	90°
Cell volume	5267 ± 14 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1349
Residual factor for significantly intense reflections	0.0636
Weighted residual factors for significantly intense reflections	0.1278
Weighted residual factors for all reflections included in the refinement	0.1499
Goodness-of-fit parameter for all reflections included in the refinement	0.897
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179649 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/02.	4510252.cif
110567	2014-04-19	cif/ Updating files of 4510252 Original log message: Adding full bibliography for ./tmp-cod-update-bibliographies-15596/cifs/4510252.cif.	4510252.cif
108657	2014-04-02	cif/ Adding structures of 4510252 via cif-deposit CGI script.	4510252.cif