Information card for entry 2217035

Structure parameters

• Common name: sulfamethoxazole cadmium(II) chloride monohydrate
• Chemical name: catena-Poly[bis(sulfamethoxazolium) [[trichloridocadmium(II)]-μ-chlorido] monohydrate]
• Formula: C20 H26 Cd Cl4 N6 O7 S2
• Calculated formula: C20 H26 Cd Cl4 N6 O7 S2
• SMILES: [Cd]([Cl][Cd](Cl)(Cl)(Cl)Cl)(Cl)(Cl)Cl.S(=O)(=O)(Nc1noc(c1)C)c1ccc([NH3+])cc1.S(=O)(=O)(Nc1noc(c1)C)c1ccc([NH3+])cc1.S(=O)(=O)(Nc1noc(c1)C)c1ccc([NH3+])cc1.S(=O)(=O)(Nc1noc(c1)C)c1ccc([NH3+])cc1.O.O
• Title of publication: <i>catena</i>-Poly[bis(sulfamethoxazolium) [[trichloridocadmate(II)]-μ-chlorido] monohydrate]
• Authors of publication: Annamalai Subashini; Packianathan Thomas Muthiah; Gabriele Bocelli; Andrea Cantoni
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m250 - m251
• a: 15.088 ± 0.002 Å
• b: 35.028 ± 0.003 Å
• c: 5.562 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2939.5 ± 1.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• 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: 0.0461
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes