Information card for entry 7228509

Structure parameters

• Formula: C14 H9 Cs2 N2 O6.5 S2
• Calculated formula: C14 H9 Cs2 N2 O6.5 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: 25.0793 ± 0.0014 Å
• b: 9.734 ± 0.0005 Å
• c: 15.1308 ± 0.0008 Å
• α: 90°
• β: 93.576 ± 0.002°
• γ: 90°
• Cell volume: 3686.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No