Information card for entry 7212932

Structure parameters

• Formula: C8 H4 Br2 Cu N2 S4
• Calculated formula: C8 H4 Br2 Cu N2 S4
• Title of publication: Metallic coordination supramolecule, [Cu(i)Cl0.2Br1.3(pyra-TTF)0.5+]
• Authors of publication: Ichikawa, Shun; Takahashi, Kazuyuki; Matsuda, Masaki; Tajima, Hiroyuki; Mori, Hatsumi
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2010
• Journal volume: 20
• Journal issue: 45
• Pages of publication: 10130
• a: 8.776 ± 0.017 Å
• b: 13.2 ± 0.02 Å
• c: 10.786 ± 0.019 Å
• α: 90°
• β: 93.665 ± 0.018°
• γ: 90°
• Cell volume: 1247 ± 4 ų
• Cell temperature: 293.3 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.1692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No