Crystallography Open Database

Information card for entry 4343878

Preview

Coordinates	4343878.cif

Structure parameters

Chemical name	Na12 (W Zn3 (H2 O)2 (Zn W9 O34)2) (H2 O)44
Formula	Na14 O114 W18
Calculated formula	Na14 O114 W18
SMILES	O.O=[W]12(=O)(O[W](=O)(=O)(O[W]345(O[W]6789O[W]%10%11(O[W]%12%13%14(O[W]%15(=O)(O[W](=O)(=O)(O[W]%16%17(O8)(O[W]8%18(O7)(O[W]7(O%10)(O%12)(=O)[O]%13[W](O%14)(O7)(=O)(O[W]([O]%168)(O%18)(O%17)(=O)=O)=O)=O)=O)(O%15)=O)(=O)=O)=O)(O[W]78%10(O[W]%12(O3)([O]4[W](O5)(=O)(=O)(O%12)O[W]3(=O)([O]8[W](O1)(O%11)(O7)(=O)O3)(O%10)=O)(O6)=O)=O)O9)=O)(O2)=O)=O.[Na+].O.O.O.[Na+].O.O.[Na+].O.[Na+].O.[Na+].O.O.O.[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].O.O.O.[Na+].O.O.[Na+].O.[Na+].O.[Na+].O.O.O.[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O
Title of publication	Reinvestigation of a Ru2-incorporated polyoxometalate dioxygenase precatalyst, "[W Zn Ru(III)2 (H2 O) (O H) (Zn W9 O34)2](11-)": Evidence for marginal, <=0.2 equivalents of Ru incorporation plus faster catalysis by physical mixtures of [Ru(II) (DMSO)4 Cl2] and the parent polyoxometalate [W Zn3 (H2 O)2 (Zn W9 O34)2](12-)
Authors of publication	Morris, A.M.; Anderson, O.P.; Finke, R.G.
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	4411 - 4420
a	13.0017 Å
b	17.8485 Å
c	21.026 Å
α	90°
β	93.223°
γ	90°
Cell volume	4871.59 Å³
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4343878.cif
151379	2015-07-14	cif/ Adding structures of 4343878 via cif-deposit CGI script.	4343878.cif