Crystallography Open Database

Information card for entry 7001419

Preview

Coordinates	7001419.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H40 Na5 O62 W12
Calculated formula	Na5 O62 W12
SMILES	O1[W]234(=O)[O]5[W]67(O[W]89([O]2[W]21(O8)(O[W]18([O]%10[W]%11%12(O[W]%13%14([O]%11[W](O%12)(O%13)(=O)(O[W]%11(=O)(O[W]5(O6)(=O)(=O)[O]%14%11)(=O)O4)O1)(O7)=O)(=O)O[W]1(=O)(O9)(O[W]%10(O8)(=O)(=O)[O]21)=O)(=O)=O)=O)(O3)=O)(=O)=O.[Na+].O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O
Title of publication	Hydrothermal routes to new sodium hydrogen polytungstates
Authors of publication	Redrup, Kate V.; Weller, Mark T.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	23
Pages of publication	4468 - 4472
a	10.8677 ± 0.0004 Å
b	12.437 ± 0.0004 Å
c	12.5313 ± 0.0004 Å
α	72.26 ± 0.002°
β	76.107 ± 0.002°
γ	87.059 ± 0.002°
Cell volume	1565.58 ± 0.09 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0624
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1193
Weighted residual factors for all reflections included in the refinement	0.1278
Goodness-of-fit parameter for all reflections included in the refinement	0.956
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
179712 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/14.	7001419.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001419.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001419.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7001419.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001419.cif