Information card for entry 4335088

Structure parameters

• Formula: C15 H9 Cu0.5 N O4 Re S5
• Calculated formula: C15 H9 Cu0.5 N O4 Re 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: 8.688 ± 0.005 Å
• b: 10.553 ± 0.005 Å
• c: 10.917 ± 0.006 Å
• α: 74.207 ± 0.016°
• β: 87.89 ± 0.02°
• γ: 73.922 ± 0.015°
• Cell volume: 924.7 ± 0.9 ų
• Cell temperature: 293.1 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 significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No