Crystallography Open Database

Information card for entry 1536576

Preview

Coordinates	1536576.cif

Structure parameters

Chemical name	K10 Na ((As W9 O34)2 (Sm (H2 O))3 (C O3)) (H2 O)22
Formula	C H50 As2 K10 Na O96 Sm3 W18
Calculated formula	C As2 K10.01 Na O95.99 Sm3 W18
SMILES	C12=[O]3[Sm]4567([OH2])[O]=[W]89%10(=O)O[W]%11%12(=O)(=[O]4)[O]8[As]48=[O]%13%14[W]%15(O9)(O%11)(=O)O[W]9%11%13(=O)O[W]%13%16%17(=O)O[W]([O]4%13)(=O)(O%10)(O%11)=[O][Sm]4%103([O]=%17)([OH2])[O]=[W]3%11%13(=O)O[W]%17%18(=O)(=[O]%10)[O]%13[As]%10%13=[O]%19[W]%20(=[O]5)(O%17)(=O)O[W]5%17%21(=O)O[W]%19(=[O]6)(O%20)(=O)O[W]6%19%20(=O)O[W]([O]%10%20)(=O)(O%11)(O[W]%10(O5)([O]%13%17[W](O3)(O%18)(=O)(O%21)O%10)(O6)=O)=[O][Sm]3([O]=%19)([OH2])([O]14)([O]27)[O]=[W]12(O%12)(=O)O[W]([O]18)(=O)(O%16)(=[O]3)O[W]%14(O2)(=O)(O9)O%15.[K+].O.[K+].[K+].[K+].[K+].O.O.[Na+].[K+].[K+].[K+].O.O.O.O.O.[K+].O.[K+].O.O.O.O.O.O.O.O.O.O.O.O.O
Title of publication	Complexes with carbonate as a tridentate ligand: synthesis and characterization of sandwich-type polyoxometallates [(A-alfa-As W9 O34)2 (M O H2)3 (C O3)](11-) (M = Y(III), Yb(III) and Sm(III))
Authors of publication	Khoshnavazi, R.; Salimi, A.; Moaser, A.G.
Journal of publication	Polyhedron
Year of publication	2008
Journal volume	27
Pages of publication	1303 - 1309
a	20.8529 Å
b	20.8529 Å
c	20.8529 Å
α	90°
β	90°
γ	90°
Cell volume	9067.75 Å³
Number of distinct elements	8
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	1536576.cif
164337	2015-10-10	cif/ Adding structures of 1536576 via cif-deposit CGI script.	1536576.cif