Information card for entry 4122272

Structure parameters

• Formula: C19 H16 S2
• Calculated formula: C19 H16 S2
• Title of publication: Understanding hydrogen sulfide storage: probing conditions for sulfide release from hydrodisulfides.
• Authors of publication: Bailey, T. Spencer; Zakharov, Lev N.; Pluth, Michael D.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 30
• Pages of publication: 10573 - 10576
• a: 7.5037 ± 0.0016 Å
• b: 7.547 ± 0.0016 Å
• c: 27.474 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1555.9 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No