Information card for entry 2311990

Structure parameters

• Common name: 1D-octamolybdate Chain
• Chemical name: Tris(triethylaminium) hemi(dopentacontaoxidopotassiohexadecamolybdate) monohydrate
• Formula: C18 H50 K Mo8 N3 O27
• Calculated formula: C18 H50 K Mo8 N3 O27
• Title of publication: pH-induced phase transition and crystallization of soft-oxometalates (SOMs) into polyoxometalates (POMs): a study on crystallization from colloids.
• Authors of publication: Paul, Shounik; Sreejith, S. S.; Roy, Soumyajit
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2018
• Journal volume: 74
• Journal issue: Pt 11
• Pages of publication: 1274 - 1283
• a: 25.1247 ± 0.0008 Å
• b: 10.7583 ± 0.0003 Å
• c: 18.5442 ± 0.0005 Å
• α: 90°
• β: 121.835 ± 0.003°
• γ: 90°
• Cell volume: 4258.5 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No