Crystallography Open Database

Information card for entry 4319093

4319092 << 4319093 >> 4319094

Preview

Coordinates	4319093.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al Cs4.5 K0.5 O47.5 W12
Calculated formula	Al Cs4.5 K0.5 O48.75 W12
Title of publication	Stability and Structure in α- and β-Keggin Heteropolytungstates, [Xn+W12O40](8-n)-, X = p-Block Cation
Authors of publication	Wade A. Neiwert; Jennifer J. Cowan; Kenneth I. Hardcastle; Craig L. Hill; Ira A. Weinstock
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	6950 - 6952
a	16.0441 ± 0.001 Å
b	13.227 ± 0.0008 Å
c	20.5919 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	4369.9 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	26
Hermann-Mauguin space group symbol	P m c 21
Hall space group symbol	P 2c -2
Residual factor for all reflections	0.0577
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.1231
Weighted residual factors for all reflections included in the refinement	0.124
Goodness-of-fit parameter for all reflections included in the refinement	1.166
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4319093.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319093.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319093.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4319093.cif
15823	2011-03-17	../uploads/cif-deposit/cod/cif Adding structures of 4319093 via cif-deposit CGI script.	4319093.cif