Information card for entry 2224198

Structure parameters

• Chemical name: Tris(4,4'-bipyridinium) diarsenooctadecamolybdate
• Formula: C30 H30 As2 Mo18 N6 O62
• Calculated formula: C30 H30 As2 Mo18 N6 O62
• SMILES: c1cc(cc[nH+]1)c1cc[nH+]cc1.[nH+]1ccc(c2cc[nH+]cc2)cc1.O1[Mo]234(O[Mo]567(O[Mo]89%10([O]%11%12=[As]%13%14[O]%15[Mo]%16%17%18(O[Mo]%19%12(O9)(O[Mo]9%15(O[Mo]%12%15%20(O[Mo]%21%22%23([O]%24%25=[As]%26([O]%12[Mo](O%21)(O[Mo](O8)(=O)([O]5%14)(O9)O6)(=O)(O2)O%15)[O]3[Mo]23(O[Mo]56(O[Mo]%11(O[Mo](O[Mo]89(O[Mo]%24(O[Mo](=O)(O%20)(O%16)([O]%268)O9)(O[Mo]1%25(O%22)(O2)=O)(O%23)=O)(=O)O3)(=O)([O]%135)(O%17)O6)(O%19)(O%10)=O)(=O)O7)(=O)O4)=O)=O)(=O)O%18)=O)=O)=O)=O)=O.c1cc(cc[nH+]1)c1cc[nH+]cc1
• Title of publication: A new hybrid Dawson-type molybdenum arsenate derivative: (H~2~bpy)~3~[As~2~Mo~18~O~62~] (bpy = 4,4'-bipyridine)
• Authors of publication: Yu, Hai-hui; Zhang, Xiao; Kong, Li; Xu, Ji-qing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1698 - m1699
• a: 11.2671 ± 0.0017 Å
• b: 12.1365 ± 0.0019 Å
• c: 13.871 ± 0.002 Å
• α: 108.023 ± 0.002°
• β: 94.243 ± 0.002°
• γ: 107.166 ± 0.002°
• Cell volume: 1694.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0608
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes