Information card for entry 4314910

Structure parameters

• Formula: C34 H18 Cu F12 N4 O8 S8
• Calculated formula: C34 H18 Cu F12 N4 O8 S8
• Title of publication: Experimental and Theoretical Studies on Photophysical Properties: Tuning Redox-Active Amido-Tetrathiafulvalene Derivatives in Paramagnetic Coordination Complexes
• Authors of publication: Fabrice Pointillart; Thomas Cauchy; Yann Le Gal; Stéphane Golhen; Olivier Cador; Lahcène Ouahab
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1947 - 1960
• a: 11.15 ± 0.005 Å
• b: 11.061 ± 0.005 Å
• c: 18.417 ± 0.006 Å
• α: 90°
• β: 103.818 ± 0.005°
• γ: 90°
• Cell volume: 2205.6 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0727
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No