Information card for entry 4346284

Structure parameters

• Formula: C20 H30 K8 Na0 O176 P4 Rh2 Ti6 W30
• Calculated formula: C20 H30 K8 O176 P4 Rh2 Ti6 W30
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Rh]12345(O[Ti]2345[O]1[Ti]167(=O)O[Ti]89(O[Rh]%10%11%12%13[c]%14([c]%13([c]%10([c]%12([c]%11%14C)C)C)C)C)(O2)[O]=[W]2%10%11(=O)O[W]%12%13(=O)(=[O]8)O[W]8%14(=O)(=[O]4)O[W]4%15(=O)(=[O]3)O[W]3%16(=O)(=[O]6)O[W](=O)(=[O]1)(O2)(O[W]126(=O)O[W]%17%18(=O)(O%10)O[W]%10%19(=O)(O%12)O[W]%12%20(=O)(O8)O[W]8%21(=O)(O4)O[W]4(=O)(O3)(O1)O[W]13(=O)(O2)O[W]2(=O)(O%17)(O%10)O[W](=O)(O8)(O%12)(O1)[O]32P(=[O]6%18)([O]%214)[O]%19%20)[O]%11=P([O]579)([O]%15%16)[O]%13%14)O[Ti]1234O[Ti]567(=O)O[Ti]89(=O)(O1)[O]=[W]1%10%11(=O)O[W]%12%13(=O)(=[O]6)O[W]6%14(=O)(=[O]5)O[W]5%15(=O)(=[O]2)O[W]2%16(=O)(=[O]3)O[W](=O)(=[O]8)(O1)(O[W]138(=O)O[W]%17%18(=O)(O%10)O[W]%10%19(=O)(O%12)O[W]%12%20(=O)(O6)O[W]6%21(=O)(O5)O[W]5(=O)(O2)(O1)O[W]12(=O)(O6)O[W]6(=O)(O%12)(O%10)O[W](=O)(O%17)(O3)(O1)[O]26P(=[O]%20%21)([O]%18%19)[O]85)[O]%16=P([O]479)([O]%14%15)[O]%11%13)C)C)C)C.[K+].[K+].[K+].[K+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[K+].[K+].[K+].[K+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Synthesis and Molecular Structure of a Water-Soluble, Dimeric Tri-Titanium(IV)-Substituted Wells-Dawson Polyoxometalate Containing Two Bridging (C5Me5)Rh2+ Groups.
• Authors of publication: Matsuki, Yusuke; Hoshino, Takahiro; Takaku, Shoko; Matsunaga, Satoshi; Nomiya, Kenji
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 23
• Pages of publication: 11105 - 11113
• a: 14.3212 ± 0.0014 Å
• b: 15.4969 ± 0.0015 Å
• c: 21.536 ± 0.002 Å
• α: 105.74 ± 0.001°
• β: 90.694 ± 0.001°
• γ: 90.589 ± 0.001°
• Cell volume: 4599.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No