Information card for entry 4314906

Structure parameters

• Formula: C42 H22 Cu2 F24 N6 O12 S8
• Calculated formula: C42 H22 Cu2 F24 N6 O12 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: 9.548 ± 0.005 Å
• b: 14.816 ± 0.005 Å
• c: 21.493 ± 0.005 Å
• α: 94.972 ± 0.005°
• β: 94.61 ± 0.005°
• γ: 93.274 ± 0.005°
• Cell volume: 3013 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1048
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.1965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No