Information card for entry 4344250

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 ų
• 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 Fobs: No