Information card for entry 2002994

Structure parameters

• Common name: beta-co-(BEDT-TTF)2I3
• Chemical name: beta-co-(bis(ethylenedithio)tetrathiafulvalene)2 triiodide
• Formula: C10 H8 I1.5 S8
• Calculated formula: C10 H8 I1.479 S8
• Title of publication: The single-crystal structure of the organic superconductor β~CO~-(BEDT-TTF)~2~I~3~ from a powder grain
• Authors of publication: Madsen, Dennis; Burghammer, Manfred; Fiedler, Stefan; Muller, Harald
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 601 - 606
• a: 6.585 Å
• b: 9.038 Å
• c: 15.205 Å
• α: 94.9°
• β: 95.74°
• γ: 110°
• Cell volume: 839.138 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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 all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.6887 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No