Information card for entry 4300779

Structure parameters

• Formula: C14 H24 K7 O84 P2 Ru2 W23
• Calculated formula: C14 K7 O84 P2 Ru2 W23
• SMILES: [W]12345([W]678([O]1[P]19[O]%10%11[W]%12%13%14%15([W]%16%17%10([W]%10%11%12([O-])(O%15)(O%17)O[W]%11%12%15%17%18([W]%19%20%21([W]%11([O]9%12%19)(O8)(O%21)(O%16)([O-])O%17)([O-])(O[Ru]89%11%12%16(O6)(O[W]6%17(O[Ru]%19%21%22%23%24%25(O[W]%26%27%28%29%30([W]%31%32%33%34([W]%35%36%26([O]%27%31[P]%26%27[O]%31[W]%37%38([W]%39%31([O-])(O%37)(O[W]%31%37%40%41%42([W]%43%44([W]%31([O]%26%37%43)([O-])(O%44)(O%41)(O%35)O[W]%26%31%35%37([W]%41%43([W]%26([O]%27%31%41)([O-])(O%34)(O%38)(O%43)O%37)([O-])(O%39)(O%42)O%35)([O-])O%36)([O-])(O%28)(O%40)O6)[O-])O%17)([O-])(O%19)O%32)([O-])(O%30)O%33)([O-])O%29)[O-])[c]6([cH]%21[cH]%22[cH]%23[cH]%24[cH]%256)C)(O5)O[W]56%17([W]%19%21([W]([O]15%19)(O3)(O6)([O-])(O%13)O%21)([O-])(O%17)(O%18)O%10)(O%20)[O-])[c]1([cH]%16[cH]%12[cH]%11[cH]9[cH]81)C)O%15)[O-])(O7)(O%14)[O-])(O4)[O-])(O2)[O-])[O-].[K+].[K+].[K+].[K+].[K+].[K+].[K+].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: 23.13 ± 0.006 Å
• b: 19.726 ± 0.005 Å
• c: 24.537 ± 0.008 Å
• α: 90°
• β: 117.69 ± 0.02°
• γ: 90°
• Cell volume: 9913 ± 5 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1584
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections: 0.1957
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No