Information card for entry 4102876

Structure parameters

• Formula: As4 S4
• Calculated formula: As4 S4
• SMILES: [As]12[As]3S[As]([As](S3)S2)S1
• Title of publication: Visualization of a Discrete Solid-State Process with Steady-State X-ray Diffraction: Observation of Hopping of Sulfur Atoms in Single Crystals of Realgar
• Authors of publication: Panče Naumov; Petre Makreski; Gjorgji Petruševski; Tomče Runčevski; Gligor Jovanovski
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 11398 - 11401
• a: 9.3211 ± 0.0002 Å
• b: 13.5484 ± 0.0003 Å
• c: 6.579 ± 0.0001 Å
• α: 90°
• β: 106.45 ± 0.001°
• γ: 90°
• Cell volume: 796.83 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0959
• Residual factor for significantly intense reflections: 0.0931
• Weighted residual factors for significantly intense reflections: 0.2332
• Weighted residual factors for all reflections included in the refinement: 0.2369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No