Information card for entry 7017268

Structure parameters

• Formula: C12 H74 As2 Dy2 K7 N2 Na O109 W21
• Calculated formula: C12 H8 As2 Dy2 K3.5 N2 O108.5 W21
• SMILES: [As]12[O]34[W]567(=O)O[W]89%10(=O)O[W]%11%12(O5)(=O)O[W]5%13%14(O[W]%154(O6)(O[W]43(O7)(O[W]36(O8)(=O)[O]19[W]1(O[W](O%11)([O]2%125)(O%13)(=O)O[W]25([n]7c(C(=O)O2)cccc7)(O1)=[O][Dy]1([O]=%14)([O]=%15)([O]=[W]27(O4)(O6)O[W]468(O[W]9%11(O[W]%12%13%14(=O)O[W]%15%16(O[W]%17%18([O]%194[As]([O]9%12%15)[O]49[W]%12%15%20(=[O][Dy]([OH2])([O]=[W]%21([n]%22c(cccc%22)C(=O)O%21)(O%13)(O[W]4(O[W]9(O%17)(O%16)(O%15)=O)(O%14)(O%12)=O)O1)([OH2])([O]=2)([O]=5)([O]=[W]%19(O%18)(=O)(O8)O%20)[OH2])=O)(O6)=O)(O%11)=O)(O7)=O)=O)([OH2])([OH2])[OH2])(O%10)(O3)=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.O
• Title of publication: The generation of a novel polyoxometalate-based 3D framework following picolinate-chelation of tungsten and potassium centres.
• Authors of publication: Ritchie, Chris; Miller, Chloë E; Boskovic, Colette
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12037 - 12039
• a: 33.4649 ± 0.0008 Å
• b: 33.4755 ± 0.0008 Å
• c: 26.6222 ± 0.0006 Å
• α: 90°
• β: 127.581 ± 0.002°
• γ: 90°
• Cell volume: 23635 ± 1.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 9
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1586
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No