Information card for entry 4501227

Structure parameters

• Common name: (EDT-TTFI2)2 (rac)camphorsulfonate
• Formula: C26 H23 I4 O4 S13
• Calculated formula: C26 H23 I4 O4 S13
• Title of publication: Strong Iodine···Oxygen Interactions in Molecular Conductors Incorporating Sulfonate Anions
• Authors of publication: Shin, Kyung-Soon; Brezgunova, Mariya; Jeannin, Olivier; Roisnel, Thierry; Camerel, Franck; Auban-Senzier, Pascale; Fourmigué, Marc
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 5337
• a: 7.755 ± 0.0003 Å
• b: 17.4439 ± 0.0005 Å
• c: 18.3384 ± 0.0006 Å
• α: 67.622 ± 0.002°
• β: 85.438 ± 0.002°
• γ: 77.408 ± 0.001°
• Cell volume: 2238.76 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0321
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.317
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No