Information card for entry 2242269

Structure parameters

• Chemical name: 4,4'-{[2-(5,6-Dihydro-[1,3]dithiolo[4,5-<i>b</i>][1,4]dioxin-2-ylidene)-1,3-dithiole-4,5-diyl]bis(sulfanediyl)}dibenzoic acid 0.25-hydrate
• Formula: C22 H14.5 O6.25 S6
• Calculated formula: C22 H14.5 O6.25 S6
• Title of publication: Crystal structure of ethylenedioxytetrathiafulvalene-4,5-bis(thiolbenzoic acid) 0.25-hydrate
• Authors of publication: Zhang, Yuanyuan; He, Qiqian; Bao, Huijie; Wang, Lejia; Xiao, Xunwen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 9
• Pages of publication: 1275 - 1278
• a: 7.6995 ± 0.0006 Å
• b: 9.2634 ± 0.0008 Å
• c: 17.9198 ± 0.0014 Å
• α: 90.97 ± 0.004°
• β: 92.039 ± 0.004°
• γ: 110.902 ± 0.004°
• Cell volume: 1192.64 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes