Information card for entry 4327148

Structure parameters

• Formula: As7 Br Cu P S7
• Calculated formula: As7 Br Cu P S7
• Title of publication: Suppression of Realgar Cage Degradation during Complexation: Formation of Hybrid Coordination Polymers with As4S4, PAs3S3, and Cu(I) Halide Building Blocks
• Authors of publication: Patrick Schwarz; Joachim Wachter; Manfred Zabel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12692 - 12696
• a: 9.6304 ± 0.0002 Å
• b: 13.2951 ± 0.0003 Å
• c: 13.7378 ± 0.0005 Å
• α: 90°
• β: 96.578 ± 0.003°
• γ: 90°
• Cell volume: 1747.37 ± 0.08 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No