Information card for entry 7027202

Structure parameters

• Chemical name: Bis[3,4-(ethylenedithio)-3'-4'-bis(hydroxymethyl)-tetrathiafulvalene] nonadecaoxohexamolybdate(VI)
• Formula: C20 H20 Mo6 O23 S12
• Calculated formula: C20 H12 Mo6 O23 S12
• 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: 20.654 ± 0.002 Å
• b: 11.5411 ± 0.0008 Å
• c: 17.11 ± 0.0012 Å
• α: 90°
• β: 101.342 ± 0.009°
• γ: 90°
• Cell volume: 3998.9 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections: 0.1335
• Weighted residual factors for significantly intense reflections: 0.1292
• Goodness-of-fit parameter for all reflections: 1.292
• Goodness-of-fit parameter for significantly intense reflections: 1.376
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No