Information card for entry 4322560

Structure parameters

• Formula: C24 H37 Ba F6 N O13 S10
• Calculated formula: C24 H29 Ba F6 N O13 S10
• 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: 45.66 ± 0.01 Å
• b: 8.897 ± 0.005 Å
• c: 23.124 ± 0.008 Å
• α: 90°
• β: 105.54 ± 0.04°
• γ: 90°
• Cell volume: 9050 ± 7 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.252
• Residual factor for significantly intense reflections: 0.103
• Weighted residual factors for all reflections: 0.684
• Weighted residual factors for significantly intense reflections: 0.118
• Goodness-of-fit parameter for significantly intense reflections: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No