Crystallography Open Database

Information card for entry 1508268

Preview

Coordinates	1508268.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 Cr6 K2 N6 O70 Si W12
Calculated formula	C58 Cr6 K2 N6 O70 Si W12
Title of publication	Highly Selective Sorption and Separation of CO2from a Gas Mixture of CO2and CH4at Room Temperature by a Zeolitic Organic‒Inorganic Ionic Crystal and Investigation of the Interaction with CO2
Authors of publication	Eguchi, Ryo; Uchida, Sayaka; Mizuno, Noritaka
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2012
Journal volume	116
Journal issue	30
Pages of publication	16105
a	32.2759 ± 0.0004 Å
b	25.4517 ± 0.0003 Å
c	13.9332 ± 0.0002 Å
α	90°
β	110.053 ± 0.0008°
γ	90°
Cell volume	10751.9 ± 0.2 Å³
Cell temperature	193 ± 1 K
Ambient diffraction temperature	193 ± 1 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for all reflections included in the refinement	0.1873
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1508268.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1508268.cif
66255	2012-09-09	cif/ Adding structures of 1508268 via cif-deposit CGI script.	1508268.cif