Information card for entry 1508455

Structure parameters

• Formula: C25 H22 Cl I6 S12 Se4
• Calculated formula: C25 H22 Cl I6 S12 Se4
• Title of publication: Synthesis and Properties of 2-Alkylidene-1,3-dithiolo[4,5-d]-4,5-ethylenediselenotetrathiafulvalene Derivatives and Crystal Structures of Their Cation Radical Salts
• Authors of publication: Furuta, Keisuke; Kohno, Shuhei; Shirahata, Takashi; Yamasaki, Koya; Hino, Shojun; Misaki, Yohji
• Journal of publication: Crystals
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 393 - 412
• a: 7.893 ± 0.002 Å
• b: 8.594 ± 0.003 Å
• c: 34.646 ± 0.01 Å
• α: 89.481 ± 0.008°
• β: 84.178 ± 0.006°
• γ: 77.788 ± 0.004°
• Cell volume: 2284.9 ± 1.2 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1006
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.1813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No