Information card for entry 4322559

Structure parameters

• Formula: C20 H30 O5 S8
• Calculated formula: C20 H30 O5 S8
• Title of publication: Electroregulated Metal-Binding with a Crown Ether Tetrathiafulvalene Derivative: Toward Electrochemically Addressed Metal Cation Sponges
• Authors of publication: Franck Le Derf; Miloud Mazari; Nicolas Mercier; Eric Levillain; Pascal Richomme; Jan Becher; Javier Garín; Jesus Orduna; Alain Gorgues; Marc Sallé
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 6096 - 6100
• a: 9.087 ± 0.006 Å
• b: 11.637 ± 0.007 Å
• c: 14.37 ± 0.008 Å
• α: 65.54 ± 0.03°
• β: 82.32 ± 0.05°
• γ: 84.18 ± 0.06°
• Cell volume: 1369 ± 1.5 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.143
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections: 0.138
• Weighted residual factors for significantly intense reflections: 0.077
• Goodness-of-fit parameter for all reflections: 3.031
• Goodness-of-fit parameter for significantly intense reflections: 1.702
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No