Information card for entry 2017441

Structure parameters

• Common name: Trimethylimidazolium sodium dimethylimidazole octamolybdate
• Chemical name: Tris(1-methylimidazolium) bis(1-methylimidazole)hexacosaoxidooctamolybdatesodium
• Formula: C20 H33 Mo8 N10 Na O26
• Calculated formula: C28 H45 Mo8 N14 Na O26
• SMILES: [Mo]12(=O)(=O)([O]3[Mo]45([O]1[Mo]1(=O)(=O)O[Mo](O4)(O[Mo]4(=O)(=O)(O[Mo](O[Mo]3(O2)(O[Mo](=O)(=O)(O5)O4)(=O)=O)(O1)=O)[n]1ccn(c1)C)(=O)=O)=O)[n]1ccn(c1)C.[Na+].n1(c[nH+]cc1)C.n1ccn(c1)C.Cn1cc[nH+]c1.n1(c[nH+]cc1)C.n1ccn(c1)C.Cn1cc[nH+]c1
• Title of publication: The novel chain-like anion ~{∞~}^1^[NaMo~8~O~26~(mim)~2~]^3{-^} in (Hmim)~3~[NaMo~8~O~26~(mim)~2~] (mim is 1-methylimidazole)
• Authors of publication: Feldmann, Claus; Alam, Nure
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m494 - m496
• a: 11.692 ± 0.002 Å
• b: 10.298 ± 0.002 Å
• c: 22.19 ± 0.004 Å
• α: 90°
• β: 100.12 ± 0.03°
• γ: 90°
• Cell volume: 2630.2 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes