Information card for entry 7013096

Structure parameters

• Common name: Well-Dawson Sandwich-Type POM
• Formula: As4 H120 Mn4 Na16 O172 W30
• Calculated formula: As4 Mn4 Na16 O172 W30
• SMILES: O=[W]1234O[W]567(=O)O[W]89(=O)(O1)O[W]1%10%11(O[W]%12%13(=O)(O8)O[W]8%14(=O)(O2)O[W]2%15(=O)(O3)O[W]3%16(=O)(O5)O[W](O6)([O]1[As](=[O]23)([O]479)[O]%128)(=O)(O%10)O[W]123(=O)O[W]45(O%16)([O]6=[As]78[O]9%10[Mn]%12%16([OH2])([O]=[W]6(=O)(O%15)(O[W]6%15(=O)(O%14)=[O][Mn]%14%17%189[O]=[W]9%19%20(=O)O[W]%21%22%23(=O)O[W]%24%25%26(=O)O[W]%27%28%29(=O)O[W]%30%31(=O)(O%24)O[W]%24%32(=O)(O%22)O[W]%22%33(=O)(O%30)O[W]%30%34(=O)(O%27)O[W]%27%35(=O)(O%28)O[W](=O)(O%25)(O%21)([O]%27=[As]([O]%26%29%31)([O]%23%24)[O]%22%30)O[W]%21%22(=O)(O[W]%23%24(=O)(O%35)O[W]%25%26(=O)(O%34)O[W]%27%28(=O)(O%33)O[W](=O)(O%32)(O%19)([O]%12%14)[O]%20[As](=[O]%22%24)([O]%12%18[Mn]%14([OH2])([O]=%23)([O]=%21)[O]([Mn]%10%12([O]=2)([O]%16%27)[O]=%25)[W](O[W](O%13)([O]76)(=O)(O%15)[O]%17%14)(=O)(O%11)(O1)[O]38)[O]%26%28)O9)O4)[O]=5)=O)=O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+].O.O.O.[Na+].[Na+].O.O.[Na+].O.O.O.O.[Na+].O.O.O.O.O.[Na+].[Na+].O.[Na+].O.O.[Na+].[Na+].O.O.O.O.[Na+].[Na+].O.O.[Na+].O.O.O.O.[Na+].O.O.O.O.O.[Na+].O.O.O.O.O.O
• Title of publication: Manganous heteropolytungstates. Synthesis and heteroatom effects in Wells?Dawson-derived sandwich complexes
• Authors of publication: Mbomekalle, Israel Martyr; Keita, Bineta; Nadjo, Louis; Berthet, Patrick; Neiwert, Wade A.; Hill, Craig L.; Ritorto, Michelle D.; Anderson, Travis M.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 13
• Pages of publication: 2646
• a: 14.523 ± 0.0012 Å
• b: 14.7104 ± 0.0013 Å
• c: 19.8927 ± 0.0017 Å
• α: 84.326 ± 0.002°
• β: 81.709 ± 0.002°
• γ: 65.584 ± 0.002°
• Cell volume: 3825.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No