Information card for entry 1558847

Structure parameters

• Formula: C30 H30 F10 O S18 Ta2
• Calculated formula: C30 H30 F10 O S18 Ta2
• Title of publication: Conservation of structural arrangements and 3:1 stoichiometry in a series of crystalline conductors of TMTTF, TMTSF, BEDT-TTF, and chiral DM-EDT-TTF with the oxo-bis[pentafluorotantalate(V)] dianion
• Authors of publication: Avarvari, Narcis; Mroweh, Nabil; Mézière, Cécile; Allain, Magali; Auban-Senzier, Pascale; Canadell, Enric
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 12.5633 ± 0.0006 Å
• b: 10.7252 ± 0.0009 Å
• c: 34.292 ± 0.002 Å
• α: 90°
• β: 93.226 ± 0.005°
• γ: 90°
• Cell volume: 4613.3 ± 0.5 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.163
• Residual factor for significantly intense reflections: 0.0952
• Weighted residual factors for significantly intense reflections: 0.2044
• Weighted residual factors for all reflections included in the refinement: 0.2456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No