Information card for entry 7204053

Structure parameters

• Formula: C27 H12 Cl0.5 F6 N4 O2 P S8
• Calculated formula: C27 H14 Cl0.5 F6 N4 O2 P S8
• Title of publication: Preparation, crystal structures and electrical properties of PF6 and AsF6 salts of a novel furopyrazine-extended donor (BDTFP) with a two-leg ladder type orbital overlapping mode
• Authors of publication: Ise, Toshihiro; Mori, Takehiko; Takahashi, Kazuko
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2001
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 264
• a: 15.6 ± 0.01 Å
• b: 16.323 ± 0.01 Å
• c: 6.96 ± 0.01 Å
• α: 103.94 ± 0.08°
• β: 103.98 ± 0.08°
• γ: 95.77 ± 0.06°
• Cell volume: 1645 ± 3 ų
• Cell temperature: 288.2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 0.296
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No