Information card for entry 7111202

Structure parameters

• Formula: C22 H20 F6 P S16
• Calculated formula: C22 H20 F6 P0.5 S16
• Title of publication: 2-(1,3-Dithiolan-2-ylidene)-5-(1,3-dithian-2-ylidene)- 1,3,4,6-tetrathiapentalene(DHDA-TTP), a hybrid of BDH-TTP and BDA-TTP, and its metallic cation-radical saltsElectronic supplementary information (ESI) available: selected crystallographic data. See http://www.rsc.org/suppdata/cc/b2/b200556p/
• Authors of publication: Yamada, Jun-ichi; Watanabe, Maki; Toita, Takashi; Akutsu, Hiroki; Nakatsuji, Shin′ichi; Nishikawa, Hiroyuki; Ikemoto, Isao; Kikuchi, Koichi
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 10
• Pages of publication: 1118
• a: 7.93 ± 0.006 Å
• b: 17.548 ± 0.005 Å
• c: 6.456 ± 0.002 Å
• α: 96.29 ± 0.03°
• β: 108.71 ± 0.05°
• γ: 91.28 ± 0.04°
• Cell volume: 844.2 ± 0.8 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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 significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.043
• Goodness-of-fit parameter for all reflections included in the refinement: 3.7
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoK?a
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No