Information card for entry 4300777

Structure parameters

• Formula: C12 H24 K4 Na3 O86 P2 Ru2 W23
• Calculated formula: C12 K4 Na4 O86 P2 Ru2 W23
• SMILES: [W]12345([W]678(O3)(=O)O[W]39%10%11%12([W]%13%14%15(O9)(=O)O[W]9%16%17([W]%18%19(O4)(O9)(=O)O[W]49%20([W]%21%22([W]%23%24(=O)(O%21)(O9)O[W]93(O%11)(O%13)(=O)O[W](=O)(O%16)(O%18)([O]%17%19P([O]%12%159)(=[O]58)[O]%20%22%23)O%24)(O6)(O%10)(O4)=O)(O1)=O)(=O)O[Ru]13456(O2)(O[W]28(O7)(O[Ru]79%10%11%12%13(O[W]%15%16%17%18([W]%19%20%21(=O)(O%16)O[W]%16%22%23([W]%24%25(=O)(O[W]%26%27%28%29%30([W]%31(=O)(O%15)(O%27)(O[W]%15%27%26(=O)(O[W]%26(=O)(O%17)(O%19)O[W]%17%19%32([W]%33%34([W](=O)(O%20)(O%22)(O%33)([O]%17%34P([O]%30%31%27)(=[O]%23%25)[O]%18%21%26)O%19)(=O)(O%24)(O%29)O%32)(=O)O%15)O%28)O2)=O)(O%16)O8)(=O)[O]7)=O)[cH]2[cH]9[cH]%10[cH]%11[cH]%12[cH]%132)O%14)[cH]2[cH]1[cH]3[cH]4[cH]5[cH]62)=O)=O.[K+].[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O
• Title of publication: Synthesis, Characterization, and Photochemical Behavior of {Ru(arene)}2+Derivatives of α-[PW11O39]7-: An Organometallic Way to Ruthenium-Substituted Heteropolytungstates
• Authors of publication: Artero, V.; Laurencin, D.; Villanneau, R.; Thouvenot, R.; Herson, P.; Gouzerh, P.; Proust, A.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 8
• Pages of publication: 2826 - 2835
• a: 13.387 ± 0.013 Å
• b: 19.829 ± 0.003 Å
• c: 20.249 ± 0.003 Å
• α: 95.2 ± 0.01°
• β: 97.82 ± 0.04°
• γ: 97.33 ± 0.03°
• Cell volume: 5250 ± 5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1733
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0801
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No