Information card for entry 7212929

Structure parameters

• Formula: C8 H4 Br1.31 Cl0.19 Cu N2 S4
• Calculated formula: C8 H4 Br1.31 Cl0.19 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: 7.439 ± 0.0007 Å
• b: 11.964 ± 0.002 Å
• c: 7.062 ± 0.0012 Å
• α: 90.17 ± 0.014°
• β: 105.226 ± 0.009°
• γ: 84.984 ± 0.01°
• Cell volume: 604 ± 0.16 ų
• Cell temperature: 298.1 K
• Ambient diffraction temperature: 298.1 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: 0.0377
• Weighted residual factors for all reflections included in the refinement: 0.0436
• Goodness-of-fit parameter for all reflections included in the refinement: 0.776
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No