Crystallography Open Database

Information card for entry 7216261

Preview

Coordinates	7216261.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C O48 Si24
Calculated formula	C0.976 O48 Si24
Title of publication	Adsorption structures of non-aromatic hydrocarbons on silicalite-1 using the single-crystal X-ray diffraction method.
Authors of publication	Fujiyama, Shinjiro; Seino, Shintaro; Kamiya, Natsumi; Nishi, Koji; Yoza, Kenji; Yokomori, Yoshinobu
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2014
Journal volume	16
Journal issue	30
Pages of publication	15839 - 15845
a	13.375 ± 0.017 Å
b	20.13 ± 0.02 Å
c	19.9 ± 0.02 Å
α	90°
β	90.1 ± 0.03°
γ	90°
Cell volume	5358 ± 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	0.1164
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1119
Weighted residual factors for all reflections included in the refinement	0.128
Goodness-of-fit parameter for all reflections included in the refinement	0.862
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7216261.cif
121773	2014-08-08	cif/ Updating files of 7216252, 7216253, 7216254, 7216255, 7216256, 7216257, 7216258, 7216259, 7216260, 7216261, 7216262, 7216263, 7216264, 7216265, 7216266, 7216267 Original log message: Adding full bibliography for 7216252--7216267.cif.	7216261.cif
115070	2014-06-02	cif/ Adding structures of 7216260, 7216261, 7216262, 7216263, 7216264, 7216265, 7216266, 7216267 via cif-deposit CGI script.	7216261.cif