Information card for entry 7233947

Structure parameters

• Chemical name: 2-{11-[4,5-bis(butylsulfanyl)-1,3-dithiolan-2- ylidene]-5H,11H-indeno[1,2-b]fluoren-5-ylidene}- 4,5-bis(butylsulfanyl)-1,3-dithiolane
• Formula: C42 H46 S8
• Calculated formula: C42 H46 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: 8.403 ± 0.0006 Å
• b: 9.035 ± 0.0011 Å
• c: 14.003 ± 0.0013 Å
• α: 103.453 ± 0.009°
• β: 106.211 ± 0.012°
• γ: 94.229 ± 0.01°
• Cell volume: 981.83 ± 0.19 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No