Information card for entry 7027201

Structure parameters

• Common name: (Me~3~TTF-CH~2~OH)~2~ Mo~6~O~19~
• Formula: C20 H24 Mo6 O21 S8
• Calculated formula: C20 Mo6 O21.04 S8
• Title of publication: Relative basicities of the oxygen atoms of the Linquist polyoxometalate [Mo6O19]2− and their recognition by hydroxyl groups in radical cation salts based on functionalized tetrathiafulvalene π donors
• Authors of publication: Dolbecq, Anne; Guirauden, Aude; Fourmigué, Marc; Boubekeur, Kamal; Batail, Patrick; Rohmer, Marie-Madeleine; Bénard, Marc; Coulon, Claude; Sallé, Marc; Blanchard, Philippe
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 8
• Pages of publication: 1241
• a: 7.8304 ± 0.0013 Å
• b: 11.288 ± 0.002 Å
• c: 11.375 ± 0.002 Å
• α: 109.08 ± 0.02°
• β: 95.29 ± 0.02°
• γ: 103.41 ± 0.02°
• Cell volume: 908.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for all reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.0669
• Goodness-of-fit parameter for all reflections: 1.036
• Goodness-of-fit parameter for significantly intense reflections: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No