Crystallography Open Database

Information card for entry 4002187

Preview

Coordinates	4002187.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 Cr6 K2 Mo12 N6 O66 P
Calculated formula	C48 Cr6 K1.998 Mo12 N6 O66 P
Title of publication	Redox-Induced Reversible Uptake‒Release of Cations in Porous Ionic Crystals Based on Polyoxometalate: Cooperative Migration of Electrons with Alkali Metal Ions
Authors of publication	Kawahara, Ryosuke; Uchida, Sayaka; Mizuno, Noritaka
Journal of publication	Chemistry of Materials
Year of publication	2015
Journal volume	27
Journal issue	6
Pages of publication	2092
a	13.362 ± 0.004 Å
b	20.179 ± 0.006 Å
c	20.186 ± 0.007 Å
α	76.11 ± 0.04°
β	72.33 ± 0.03°
γ	72.24 ± 0.03°
Cell volume	4873 ± 3 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.1164
Weighted residual factors for all reflections included in the refinement	0.3477
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4002187.cif
134762	2015-04-04	cif/ Updating files of 4002187, 4002188, 4002189 Original log message: Adding full bibliography for 4002187--4002189.cif.	4002187.cif
133013	2015-03-05	cif/ Adding structures of 4002187 via cif-deposit CGI script.	4002187.cif