Information card for entry 7228506

Structure parameters

• Formula: C14 H11 Cs N2 O7 S2
• Calculated formula: C14 H11 Cs N2 O7 S2
• Title of publication: Ionic Cocrystals of Molecular Saccharin
• Authors of publication: Karothu, Durga Prasad; Jahovic, Ilma; Jovanovski , Gligor; Kaitner, Branko; Naumov, Pance
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 13.297 ± 0.002 Å
• b: 6.6748 ± 0.0011 Å
• c: 19.359 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1718.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.366
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No