Information card for entry 4321252

Structure parameters

• Formula: C11.5 H8 Br2 Cu O0.5 S10
• Calculated formula: C11.5 H8 Br2 Cu O0.5 S10
• Title of publication: 1:1 Complexes of Dimethylthio- and Ethylenedithio-tetrathiafulvalenothioquinone- 1,3-dithiolemethides with CuBr2 as a New Type of π/d Molecular System
• Authors of publication: Masaki Iwamatsu; Tsuyoshi Kominami; Kazumasa Ueda; Toyonari Sugimoto; Tomohiro Adachi; Hideo Fujita; Harukazu Yoshino; Yoshiyuki Mizuno; Keizo Murata; Motoo Shiro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 3810 - 3815
• a: 11.628 ± 0.004 Å
• b: 12.719 ± 0.004 Å
• c: 8.479 ± 0.002 Å
• α: 104.79 ± 0.02°
• β: 106.8 ± 0.02°
• γ: 101.32 ± 0.03°
• Cell volume: 1110.2 ± 0.7 ų
• Cell temperature: 298.2 K
• Ambient diffraction temperature: 298.2 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: 0.1748
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections: 0.1073
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections: 1.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No