Information card for entry 4332716

Structure parameters

• Formula: C10 H4 Cl2 Cu N4 S4
• Calculated formula: C10 H4 Cl2 Cu N4 S4
• Title of publication: Antiferromagnetic Interaction Achieved by a 3-D Supramolecular CuIIComplex with Pyrazino-Fused TTF as the Ligand, [CuCl2(BP-TTF)]
• Authors of publication: Ichikawa, Shun; Kimura, Shinya; Mori, Hatsumi; Yoshida, Gosuke; Tajima, Hiroyuki
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 19
• Pages of publication: 7575 - 7577
• a: 7.955 ± 0.008 Å
• b: 11.4 ± 0.01 Å
• c: 3.872 ± 0.003 Å
• α: 98.27 ± 0.09°
• β: 91.54 ± 0.09°
• γ: 98.28 ± 0.09°
• Cell volume: 343.5 ± 0.5 ų
• Cell temperature: 298.1 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 significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 2.021
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No