Information card for entry 7219114

Structure parameters

• Formula: C12 H10 S2
• Calculated formula: C12 H10 S2
• SMILES: S(Sc1ccccc1)c1ccccc1
• Title of publication: Cubic Ag2O nanoparticles incorporated mesoporous silica with large bottle-neck like mesopore for the aerobic oxidative synthesis of disulfide
• Authors of publication: Das, Paramita; Ray, Suman; Bhaumik, Asim; Banerjee, Biplab; Mukhopadhyay, Chhanda
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 5.642 ± 0.0004 Å
• b: 8.1176 ± 0.0006 Å
• c: 23.6684 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1084 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0373
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 0.799
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No