Information card for entry 2223094

Structure parameters

• Chemical name: Octakis[2,2',5,5'-tetrathiafulvalenium(0.5+)] bis[hexamolybdate(2-)] acetonitrile solvate
• Formula: C50 H35 Mo12 N O38 S32
• Calculated formula: C50 H35 Mo12 N O38 S32
• Title of publication: Octakis[2,2',5,5'-tetrathiafulvalenium(0.5+)] bis[hexamolybdate(2{-})] acetonitrile solvate
• Authors of publication: Zebiri, Ikram; Anak, Berkahoum; Djebli, Yacine; Boufas, Sihem; Bencharif, Leïla
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: m1063 - m1064
• a: 14.3179 ± 0.0008 Å
• b: 20.2299 ± 0.001 Å
• c: 16.7625 ± 0.001 Å
• α: 90°
• β: 101.266 ± 0.003°
• γ: 90°
• Cell volume: 4761.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes