Information card for entry 2213694

Structure parameters

• Chemical name: Sodium 2,4,<i>N</i>-trichlorobenzenesulfonamidate sesquihydrate
• Formula: C6 H6 Cl3 N Na O3.5 S
• Calculated formula: C6 H6 Cl3 N Na O3.5 S
• SMILES: c1(c(cc(cc1)Cl)Cl)S(=O)([O-])=NCl.[Na+].O.O
• Title of publication: Sodium 2,4,<i>N</i>-trichlorobenzenesulfonamidate sesquihydrate
• Authors of publication: B. Thimme Gowda; M. B. Savitha; Jozef Kožíšek; Miroslav Tokarčík; Hartmut Fuess
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1646 - m1646
• a: 11.033 ± 0.002 Å
• b: 6.741 ± 0.0013 Å
• c: 30.187 ± 0.006 Å
• α: 90°
• β: 98.51 ± 0.03°
• γ: 90°
• Cell volume: 2220.4 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• 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: 0.0452
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes