Information card for entry 4344607

Structure parameters

• Formula: Co4 Cs2.5 H33 Na1.5 O52 P W9
• Calculated formula: Co4 Cs2.5 O47 P W9
• SMILES: [OH2][Co]12([OH2])([OH2])[O]3[Co]45([OH2])[O]2[Co]26([O]1[Co]13([OH2])[O]=[W]37(O[W]89(=[O]4)(OP4(=O)[O]%10[W]%11(=[O]1)(O3)(=O)O[W]1%10(=[O]2)(=O)O[W]23(=[O]6)([O]4[W](=[O]5)(O2)(=O)(O8)O[W]2(O3)(O[W](O9)(O7)(O[W](O%11)(O1)(O2)=O)=O)=O)=O)=O)=O)[OH2].[Cs+].[Cs+].O.O.[Cs+].O.O
• Title of publication: Cobalt Clusters with Cubane-Type Topologies Based on Trivacant Polyoxometalate Ligands.
• Authors of publication: Duan, Yan; Clemente-Juan, Juan M; Giménez-Saiz, Carlos; Coronado, Eugenio
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 925 - 938
• a: 24.7139 ± 0.0002 Å
• b: 21.6677 ± 0.0002 Å
• c: 20.0276 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10724.7 ± 0.14 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No