Information card for entry 7233950

Structure parameters

• Formula: C34 H30 S8
• Calculated formula: C34 H30 S8
• Title of publication: Mixed valence radical cations and intermolecular complexes derived from indenofluorene-extended tetrathiafulvalenes
• Authors of publication: Mikkel A. Christensen; Christian R. Parker; Thomas Just Sorensen; Sebastian de Graaf; Thorbjorn J. Morsing; Theis Brock-Nannestad; Jesper Bendix; Michael M. Haley; Peter Rapta; Andrey Danilov; Sergey Kubatkin; Ole Hammerich; Mogens Brondsted Nielsen
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 10428 - 10438
• a: 5.2379 ± 0.0016 Å
• b: 15.5022 ± 0.0008 Å
• c: 19.0966 ± 0.0011 Å
• α: 90°
• β: 97.145 ± 0.002°
• γ: 90°
• Cell volume: 1538.6 ± 0.5 ų
• Cell temperature: 122 ± 2 K
• Ambient diffraction temperature: 122 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0422
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No