Information card for entry 2241665

Structure parameters

• Chemical name: Bis(ethylenedithio)tetrathiafulvalenium μ~2~-acetato-bis[tribromidorhenate(III)] 1,1,2-trichloroethane hemisolvate
• Formula: C13 H12.5 Br6 Cl1.5 O2 Re2 S8
• Calculated formula: C13 H12.5 Br6 Cl1.5 O2 Re2 S8
• Title of publication: Crystal structure of bis(ethylenedithio)tetrathiafulvalenium μ~2~-acetato-bis[tribromidorhenate(III)] 1,1,2-trichloroethane hemisolvate
• Authors of publication: Golichenko, Alexander A.; Kravchenko, Andrey V.; Omelchenko, Irina V.; Chudak, Denis M.; Starodub, Vladimir A.; Barszcz, Boleslaw; Shtemenko, Alexander V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 5
• Pages of publication: 712 - 715
• a: 27.1825 ± 0.0005 Å
• b: 8.53737 ± 0.00013 Å
• c: 26.0667 ± 0.0005 Å
• α: 90°
• β: 100.844 ± 0.0017°
• γ: 90°
• Cell volume: 5941.2 ± 0.19 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes