Crystallography Open Database

Information card for entry 8102986

Preview

Coordinates	8102986.cif

Structure parameters

Formula	H54 O63 W12
Calculated formula	H54 O63 W12
Title of publication	Crystal structure of dodecahydroxy-dodecatungsten henicosahydrate, H12W12O42 · 21H2O
Authors of publication	Zhen-Fang Li; Bi-Song Zhang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2008
Journal volume	223
Journal issue	3
Pages of publication	191
a	12.259 ± 0.003 Å
b	14.157 ± 0.003 Å
c	15.696 ± 0.003 Å
α	90.3 ± 0.03°
β	94.91 ± 0.03°
γ	107.7 ± 0.03°
Cell volume	2584.2 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0457
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0774
Weighted residual factors for all reflections included in the refinement	0.0811
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8102986.cif
176728	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 8.	8102986.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102986.cif
13725	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102986 via cif-deposit CGI script.	8102986.cif