Crystallography Open Database

Information card for entry 4344250

Preview

Coordinates	4344250.cif

Structure parameters

Chemical name	K4 Na6 (Ti2 W10 P O39)2 (H2 O)14
Formula	H28 K4 Na6 O92 P2 Ti4 W20
Calculated formula	K4 Na6 O92 P2 Ti4 W20
SMILES	[K+].[K+].O.[K+].[Na+].[Na+].O.O.[K+].O.O.O1[W]234([O]5P67=[O]8[W]9%10%11(O[W]%12(O[W]%138(O[W]8%14%15(=[O][Ti]%16%17%18(O[Ti]%19%20%21%22[O]=[W]%23%24(=O)O[W]%25%26%27([O]=P%28%29[O]%30[W]%31%32%33(O[W]%34%35([O]%36%28[Ti](O[Ti]%28%37%38([O]=[W]%39(O[W](=[O]%28)(O%14)([O]7%38%39)(=O)O%13)(O[W](O[W]5(=[O]%17)(=[O]%37)(=O)O3)(O%11)(=O)O4)(O9)=O)O%16)(O%19)([O]=%35)([O]=%23)=[O][W]3%36(O%34)(=O)O[W]4(=O)(O[W]%30(=O)(O%32)(O[W](O[W]([O]%20%29)(O3)(=[O]%22)(=O)O4)(=[O]%21)(O%26)=O)O%27)O%33)(=O)O[W](O%25)(O%31)(=O)O%24)=O)=O)[O]6%15[W]1(O8)(O%12)(=[O]%18)=O)=O)(=O)O%10)(O2)=O)=O)=O.[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O
Title of publication	Synthesis and crystal structure of the dimeric, Ti - O - Ti bridged hydrid form polyoxoanion (alpha-1, 2-(P W10 Ti2 O39))2(10-)
Authors of publication	He, J.-H.; Hu, N.-H.; Wang, X.H.; Chen Ya-Guang; Liu, J.-F.; Jia, H.-Q.
Journal of publication	Inorganic Chemistry Communications
Year of publication	2002
Journal volume	5
Pages of publication	796 - 799
a	12.713 Å
b	18.955 Å
c	20.922 Å
α	77.55°
β	76.29°
γ	81.7°
Cell volume	4759.68 Å³
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
162394 (current)	2015-10-09	cif/ Adding structures of 4344250 via cif-deposit CGI script.	4344250.cif