Information card for entry 4312746

Structure parameters

• Formula: C12 H6 Br2.5 Cu0.75 O S11
• Calculated formula: C12 H6 Br2.5 Cu0.75 O S11
• Title of publication: One-Dimensional CuBr42- Ion Array and CuBr3- Ion Chain Included in the π Conducting Framework Composed of Bis(methylthio)tetrathiafulvalenothioquinone- -1,3-dithiocarbonatodithiolemethide Molecules
• Authors of publication: Takuya Matsumoto; Yohsuke Kamada; Toyonari Sugimoto; Toshiji Tada; Satoru Noguchi; Hiroyuki Nakazumi; Takashi Kawakami; Kizashi Yamaguchi; Motoo Shiro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8638 - 8645
• a: 6.949 ± 0.003 Å
• b: 38.09 ± 0.02 Å
• c: 33.12 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8766 ± 7 ų
• Cell temperature: 93.2 K
• Number of distinct elements: 6
• Space group number: 73
• Hermann-Mauguin space group symbol: I b c a
• Hall space group symbol: -I 2b 2c
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 0.803
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No