Information card for entry 7063841

Structure parameters

• Common name: [(MeSe)2(MeS)2TTF][TCNQF
• Formula: C22 H15 F N4 S6 Se2
• Calculated formula: C22 H14.999 F1.004 N4 S6 Se2
• Title of publication: Activation of chalcogen bonding in tetrathiafulvalene derivatives with Se/S differentiation
• Authors of publication: Beau, Maxime; Jeon, Ie-Rang; Jeannin, Olivier; Guizouarn, Thierry; Fourmigué, Marc
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 26
• Pages of publication: 11501 - 11508
• a: 8.3729 ± 0.0006 Å
• b: 11.2809 ± 0.0008 Å
• c: 14.735 ± 0.0011 Å
• α: 80.6 ± 0.002°
• β: 84.314 ± 0.003°
• γ: 83.533 ± 0.002°
• Cell volume: 1359.72 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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 all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No