Crystallography Open Database

Information card for entry 1519107

1519106 << 1519107 >> 1519108

Preview

Coordinates	1519107.cif

Structure parameters

Formula	H50 Na6 O66 Sr2 W12
Calculated formula	Na6 O66 Sr2 W12
SMILES	[W]1234(O[W]567([O]4[W]4(O2)(O6)([O]2[W]68([O]9[W]%10%11(O[W]%12%13(O[W]9(O8)(O4)(=O)=O)(O[W]4([O]%10%13)(O%11)([O]8[W]9([O]5[W](O1)(O9)(=O)(=O)O4)(=O)(=O)O[W]8(O%12)(O7)(=O)=O)=O)=O)(=O)O[W]2(O3)(O6)(=O)=O)(=O)=O)=O)=O)=O.[Sr+2].O.O.[Sr+2].O.O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
Title of publication	Crystal Structure of Sodium-Strontium Paratungstate B, Na6Sr2[W12O40(OH)2].24H2O.
Authors of publication	Sergii V. Radio; Nadija I. Gumerova; Vyacheslav N. Baumer
Journal of publication	Journal of Structural Chemistry
Year of publication	2013
Journal volume	54
Pages of publication	97 - 103
a	12.5435 ± 0.0003 Å
b	12.1544 ± 0.0003 Å
c	18.808 ± 0.0004 Å
α	90°
β	93.44 ± 0.002°
γ	90°
Cell volume	2862.28 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0469
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for all reflections included in the refinement	0.0446
Goodness-of-fit parameter for all reflections included in the refinement	0.979
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
176729 (current)	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 1.	1519107.cif
135409	2015-04-29	cif/ Adding structures of 1519107 via cif-deposit CGI script.	1519107.cif