Information card for entry 2002084

Structure parameters

• Formula: C26 H18 N O19 S16 W6
• Calculated formula: C15.5 N0.5 O9.5 S9 W3
• Title of publication: Structure of the tetrakis(2,2',5,5'-tetrathiafulvalene) hexatungstate acetonitrile solvate salt (TTF)~4~W~6~O~19~.0.5(CH~3~CN)
• Authors of publication: Triki, S.; Ouahab, L.; Grandjean, D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 1
• Pages of publication: 132 - 135
• a: 14.399 ± 0.006 Å
• b: 20.51 ± 0.02 Å
• c: 16.817 ± 0.005 Å
• α: 90°
• β: 100.75 ± 0.03°
• γ: 90°
• Cell volume: 4879 ± 5 ų
• Cell temperature: 293 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 significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.042
• Goodness-of-fit parameter for significantly intense reflections: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No