Information card for entry 4344608

Structure parameters

• Formula: Co7 Cs7 H58 Na2 O100 P2 W18
• Calculated formula: Co7 Cs7 Na2 O90 P2 W18
• SMILES: P123=[O]45[Co]678([O]9[Co]%10%11%12([O]%13[Co]%1449([OH2])[O]=[W]49%15([O]%161[W]1(=[O]7)(=O)(O4)O[W]47(=[O]8)([O]83[W]3%17(=[O][Co]5%13([O]6%10)([OH2])[O]=[W]56([O]2[W](=[O]%14)(O9)(=O)(O5)O[W]2(O6)(O[W]%16(O1)(O%15)(O[W]8(O%17)(O7)(O2)=O)=O)=O)(=O)O3)(=O)O4)=O)=O)[O]1[Co]234([O]%12[Co]567([O]%11[Co]891([OH2])[O]25=P12[O]5%10[W]%11%12(=[O]3)(=O)O[W]35(=[O]8)(=O)O[W]58(=[O]9)([O]1[W]1(=[O]6)(O5)(=O)O[W]56(=[O]7)([O]72[W](=[O]4)(O5)(=O)(O%11)O[W]27(O6)(O[W]%10(O%12)(O3)(O[W](O8)(O1)(O2)=O)=O)=O)=O)=O)[OH2])[OH2])[OH2].[Cs+].[Cs+].[Cs+].[Cs+].[Na+].O.O.O.O.O.[Cs+].[Cs+].[Cs+].[Na+].O.O.O.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: 12.4982 ± 0.0005 Å
• b: 12.6768 ± 0.0006 Å
• c: 33.332 ± 0.002 Å
• α: 90°
• β: 96.416 ± 0.005°
• γ: 90°
• Cell volume: 5248 ± 0.5 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 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: 0.1883
• Residual factor for significantly intense reflections: 0.1495
• Weighted residual factors for significantly intense reflections: 0.3933
• Weighted residual factors for all reflections included in the refinement: 0.4226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.299
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No