Information card for entry 7245317

Structure parameters

• Formula: C15 H12 Cl0 F2 N2 O0 S4
• Calculated formula: C15 H12 F2 N2 S4
• Title of publication: Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes
• Authors of publication: Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 7.0619 ± 0.0006 Å
• b: 10.1071 ± 0.001 Å
• c: 12.5228 ± 0.0011 Å
• α: 93.828 ± 0.008°
• β: 101.369 ± 0.007°
• γ: 108.957 ± 0.008°
• Cell volume: 820.47 ± 0.14 ų
• Cell temperature: 294.5 ± 0.5 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.1856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No