Information card for entry 4346816

Structure parameters

• Formula: C9 H101 As2 Cs3 K N Na7 O111 Sb W19
• Calculated formula: C9 H13 As2 Cs3.25 K0.875 N Na6 O93.75 Sb W19
• SMILES: [W]1234(O[W]56(O[W]78(O1)(O[W]19%10(O[W]%11%12(O2)(O[W]2%13(O1)(O[W]1%14(O[W]%15(O3)(O%11)(O[W](O5)(O1)([O]%14%15[As]([O]467)[O]9%12%13)(=O)=O)=O)(O[W]1(O[W]345(O[W]679(O[W]%11%12(O3)(O[W]3%13(O[W]%14%15(O6)(O[W]6(O3)(O[W]3%16(O[W]%17(O7)(O%14)(O[W](O4)(O3)(O1)([O]%16%17[As]([O]%13%156)[O]59%11)=O)=O)(=O)=O)(=O)=O)=O)(O[Sb](c1c(cccc1)C[NH+](C)C)(O%10)(O8)O%12)=O)=O)=O)=O)(O2)(=O)=O)=O)=O)=O)=O)=O)(=O)=O)=O.[Cs+].[Cs+].[Cs+].[Cs+].[K+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].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: 19-Tungstodiarsenate(III) Functionalized by Organoantimony(III) Groups: Tuning the Structure-Bioactivity Relationship.
• Authors of publication: Yang, Peng; Lin, Zhengguo; Alfaro-Espinoza, Gabriela; Ullrich, Matthias S.; Raţ, Ciprian I; Silvestru, Cristian; Kortz, Ulrich
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 251 - 258
• a: 18.538 ± 0.002 Å
• b: 23.043 ± 0.003 Å
• c: 26.853 ± 0.003 Å
• α: 90°
• β: 106.012 ± 0.005°
• γ: 90°
• Cell volume: 11026 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 10
• 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: 0.0555
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No