Information card for entry 7111437

Structure parameters

• Formula: C24 H24 F6 P S16
• Calculated formula: C24 H24 F6 P S16
• SMILES: C1CSC2=C(S1)SC(S2)=C1SC2=C(S1)S[C@@H]([C@@H](S2)C)C.[P](F)(F)(F)(F)(F)[F-].C1CSC2=C(S1)SC(S2)=C1SC2=C(S1)S[C@H]([C@H](S2)C)C
• Title of publication: A new organic superconductor ?-(meso-DMBEDT-TTF)2PF6
• Authors of publication: Kimura, Shinya; Maejima, Tomoko; Suzuki, Hideaki; Chiba, Ryoma; Mori, Hatsumi; Kawamoto, Tadashi; Mori, Takehiko; Moriyama, Hiroshi; Nishio, Yutaka; Kajita, Koji
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 21
• Pages of publication: 2454 - 2455
• a: 9.115 ± 0.008 Å
• b: 15.649 ± 0.008 Å
• c: 6.737 ± 0.003 Å
• α: 90.84 ± 0.05°
• β: 109.37 ± 0.05°
• γ: 88.87 ± 0.06°
• Cell volume: 906.4 ± 1 ų
• Cell temperature: 298.2 K
• Ambient diffraction temperature: 298.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for all reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections: 0.672
• Goodness-of-fit parameter for all reflections included in the refinement: 0.67
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No