Crystallography Open Database

Information card for entry 4320708

4320707 << 4320708 >> 4320709

Preview

Coordinates	4320708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al H34 K6 Mn O56 W11
Calculated formula	Al K6 Mn0.96 O56 W11.04
Title of publication	Formation, Isomerization, and Derivatization of Keggin Tungstoaluminates
Authors of publication	Jennifer J. Cowan; Alan J. Bailey; Robert A. Heintz; Bao T. Do; Kenneth I. Hardcastle; Craig L. Hill; Ira A. Weinstock
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	6666 - 6675
a	12.5335 ± 0.0004 Å
b	12.5335 ± 0.0004 Å
c	17.6353 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2770.3 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0453
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1163
Weighted residual factors for all reflections included in the refinement	0.1171
Goodness-of-fit parameter for all reflections included in the refinement	1.201
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.	4320708.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320708.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320708.cif
17904	2011-04-11	../uploads/cif-deposit/cod/cif Adding structures of 4320708 via cif-deposit CGI script.	4320708.cif