Information card for entry 7105623

Structure parameters

• Formula: C26 H23 I4 O5 S13
• Calculated formula: C26 H23 I4 O5 S13
• Title of publication: Combining halogen bonding and chirality in a two-dimensional organic metal (EDT-TTF-I(2))(2)(D-camphorsulfonate).H(2)O.
• Authors of publication: Brezgunova, Mariya; Shin, Kyung-Soon; Auban-Senzier, Pascale; Jeannin, Olivier; Fourmigué, Marc
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 22
• Pages of publication: 3926 - 3928
• a: 7.6737 ± 0.0002 Å
• b: 8.1634 ± 0.0002 Å
• c: 17.7545 ± 0.0006 Å
• α: 79.593 ± 0.0019°
• β: 87.517 ± 0.002°
• γ: 65.233 ± 0.002°
• Cell volume: 992.64 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No