Information card for entry 4335089

Structure parameters

• Formula: C20 H10 Cu0.5 F6 N O2 S5
• Calculated formula: C20 H10 Cu0.5 F6 N O2 S5
• Title of publication: CuII and CuI Coordination Complexes Involving Two Tetrathiafulvalene-1,3-benzothiazole Hybrid Ligands and Their Radical Cation Salts
• Authors of publication: Sayo Yokota; Keijiro Tsujimoto; Sadayoshi Hayashi; Fabrice Pointillart; Lahcène Ouahab; Hideki Fujiwara
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6543 - 6550
• a: 9.347 ± 0.004 Å
• b: 18.49 ± 0.008 Å
• c: 14.046 ± 0.006 Å
• α: 90°
• β: 102.817 ± 0.008°
• γ: 90°
• Cell volume: 2367 ± 1.8 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No