Information card for entry 4031017

Structure parameters

• Common name: (TTF7)(CUBr2)
• Chemical name: (TTF7)(CuBr2)
• Formula: C42 H36 Br2 Cu O8 S8
• Calculated formula: C42 H36 Br2 Cu O8 S8
• Title of publication: Copper ion salts of arylthiotetrathiafulvalenes: synthesis, structure diversity and magnetic properties.
• Authors of publication: Ma, Longfei; Sun, Jibin; Lu, Xiaofeng; Zhang, Shangxi; Qi, Hui; Liu, Lei; Shao, Yongliang; Shao, Xiangfeng
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2015
• Journal volume: 11
• Pages of publication: 850 - 859
• a: 12.8898 ± 0.0012 Å
• b: 14.8147 ± 0.0013 Å
• c: 14.8279 ± 0.0013 Å
• α: 107.327 ± 0.008°
• β: 93.858 ± 0.007°
• γ: 115.35 ± 0.009°
• Cell volume: 2379.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.13
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.2016
• Weighted residual factors for all reflections included in the refinement: 0.2466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No