Information card for entry 4113535

Structure parameters

• Common name: (C28H22N2S6).(CH2Cl2)1.5
• Formula: C59 H44 Cl6 N4 S12
• Calculated formula: C59 H44 Cl6 N4 S12
• Title of publication: Cyclic Vinylogous TTF: a Potential Molecular Clip Triggered by Electron Transfer
• Authors of publication: Michel Guerro; Roger Carlier; Kamal Boubekeur; Dominique Lorcy; Philippe Hapiot
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 3159 - 3167
• a: 9.816 ± 0.003 Å
• b: 12.585 ± 0.002 Å
• c: 13.562 ± 0.004 Å
• α: 81.31 ± 0.02°
• β: 79.61 ± 0.03°
• γ: 84.68 ± 0.02°
• Cell volume: 1625.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1645
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1741
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No