Information card for entry 7101393

Structure parameters

• Formula: Bi3 H180 N14 Na4 Np3 O179 W30.72
• Calculated formula: Bi3 N14 Na4 Np3 O117 W30.72
• SMILES: N.N.N.N.N.N.N.N.N.O=[Np]1234([O]=[W]567(O[W]89(=[O]1)([O]1%10[Bi]%11[O]%12%13[W]%14%15%16(O[W]%171(O[W]1%18(O[W]%19%20%21(=[O]3)=[O][Np]3%22([O]=[W]%23%24(O[W]%25(O[W]%10(O[W]%13(O[W]%12(O%15)(O%24)(=O)=[O]%22)(O%14)(O%25)=O)(O8)(=O)O%17)([O]6%11%23)(O7)=O)(O5)=O)(=O)[O]=[W]567([O]8%10[Bi]%11[O]%12%13[W]%14%15%17(O[W]%22%23%12(=[O][Np]%12%24([O]=%19)(=O)([O]=[W]%19%25%26(O[W]%27%28(=[O]%12)(=O)O[W]%12%29%30(O[W]%31%32(O[W]%33%34%35(O[W]%36%37(=[O]2)(O[W]2(=O)(=[O]4)(O[W](=O)([O]%192[Bi]([O]%33%36[W](O%34)(O[W](O%20)(O1)(O[W](O%21)(O%18)(=O)(O[W]12(O[W]4(=[O]3)(O[W]3(O[W]%13(O%14)(O%22)(O[W]%10(O5)(O3)(O[W]8(=[O]%24)(O%23)(=O)O6)=O)=O)([O]%1114)(=O)O2)(O7)=O)(=O)O%17)O%15)(=O)O%12)(O%37)(O%29)=O)[O]%28%30%32)(O%31)(O%26)O%35)O%25)=O)=O)(O%27)=O)=O)=O)[OH2])=O)=O)=O)(=O)O%16)(=O)O9)=O)=O)=O)[OH2].N.N.[Na+].N.[Na+].N.[Na+].N.[Na+].O
• Title of publication: Oxoneptunium(V) as part of the framework of a polyoxometalate
• Authors of publication: Copping, Roy; Gaunt, Andrew J.; May, Iain; Sharrad, Clint A.; Collison, David; Helliwell, Madeleine; Fox, O. Danny; Jones, Chris J.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2006
• Journal issue: 36
• Pages of publication: 3788 - 3790
• a: 18.58 ± 0.005 Å
• b: 18.767 ± 0.005 Å
• c: 24.137 ± 0.005 Å
• α: 78.6 ± 0.005°
• β: 81.457 ± 0.005°
• γ: 62.067 ± 0.005°
• Cell volume: 7274 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1742
• Residual factor for significantly intense reflections: 0.0907
• Weighted residual factors for significantly intense reflections: 0.2198
• Weighted residual factors for all reflections included in the refinement: 0.2526
• Goodness-of-fit parameter for all reflections included in the refinement: 0.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No