Information card for entry 4327146

Structure parameters

• Formula: As7 Cu3 I3 P S7
• Calculated formula: As7 Cu3 I3 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: 15.2333 ± 0.0003 Å
• b: 10.8726 ± 0.0002 Å
• c: 13.3242 ± 0.0003 Å
• α: 90°
• β: 91.468 ± 0.0018°
• γ: 90°
• Cell volume: 2206.1 ± 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: 0.0484
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No