Information card for entry 7220585

Structure parameters

• Formula: C64 H56 F12 P2 S18
• Calculated formula: C64 H56 F12 P2 S18
• Title of publication: Diindenothienoacene‒tetrathiafulvalene redox systems
• Authors of publication: Christensen, Mikkel A.; Rudebusch, Gabriel E.; Parker, Christian Richard; Andersen, Cecilie Lindholm; Kadziola, Anders; Haley, Michael M.; Hammerich, Ole; Nielsen, Mogens Brondsted
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 13.7471 ± 0.0007 Å
• b: 14.2896 ± 0.0009 Å
• c: 19.086 ± 0.0011 Å
• α: 78.671 ± 0.002°
• β: 72.701 ± 0.002°
• γ: 80.847 ± 0.002°
• Cell volume: 3489.6 ± 0.3 ų
• Cell temperature: 122 ± 2 K
• Ambient diffraction temperature: 122 ± 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: 0.2135
• Residual factor for significantly intense reflections: 0.1077
• Weighted residual factors for significantly intense reflections: 0.2485
• Weighted residual factors for all reflections included in the refinement: 0.3065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No