Information card for entry 4115494

Structure parameters

• Formula: C24 H24 F6 P S16
• Calculated formula: C24 H24 F6 P0.5 S16
• Title of publication: New Organic Superconductors β-(BDA-TTP)2X [BDA-TTP = 2,5-Bis(1,3-dithian-2-ylidene)-1,3,4,6-tetrathiapentalene; X-= SbF6-, AsF6-, and PF6-]
• Authors of publication: Jun-ichi Yamada; Maki Watanabe; Hiroki Akutsu; Shin'ichi Nakatsuji; Hiroyuki Nishikawa; Isao Ikemoto; Koichi Kikuchi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 4174 - 4180
• a: 8.503 ± 0.002 Å
• b: 17.34 ± 0.005 Å
• c: 6.5329 ± 0.0013 Å
• α: 94.07 ± 0.02°
• β: 110.73 ± 0.02°
• γ: 89.36 ± 0.02°
• Cell volume: 898.5 ± 0.4 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 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: 0.0559
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections: 1.985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.98
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No