Crystallography Open Database

Information card for entry 4510253

Preview

Coordinates	4510253.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C1.17 O50.35 Si24
Calculated formula	C1.174 O50.348 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	13.339 ± 0.018 Å
b	20.03 ± 0.02 Å
c	19.83 ± 0.02 Å
α	90°
β	90.01 ± 0.02°
γ	90°
Cell volume	5298 ± 10 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	0.1331
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1149
Weighted residual factors for all reflections included in the refinement	0.1334
Goodness-of-fit parameter for all reflections included in the refinement	0.815
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.	4510253.cif
110568	2014-04-19	cif/ Updating files of 4510253 Original log message: Adding full bibliography for ./tmp-cod-update-bibliographies-15596/cifs/4510253.cif.	4510253.cif
108658	2014-04-02	cif/ Adding structures of 4510253 via cif-deposit CGI script.	4510253.cif