Information card for entry 7212931

Structure parameters

• Formula: C8 H4 Br1.3 Cl0.2 Cu N2 S4
• Calculated formula: C8 H4 Br1.3 Cl0.2 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: 7.4234 ± 0.0017 Å
• b: 11.953 ± 0.003 Å
• c: 7 ± 0.0016 Å
• α: 90.147 ± 0.007°
• β: 105.932 ± 0.005°
• γ: 85.179 ± 0.006°
• Cell volume: 595 ± 0.2 ų
• Cell temperature: 160 K
• Ambient diffraction temperature: 160 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for all reflections included in the refinement: 0.0548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No