Information card for entry 2226180

Structure parameters

• Chemical name: Bis[(<i>E</i>)-1-methyl-4-styrylpyridinium] 4-bromobenzenesulfonate iodide
• Formula: C34 H32 Br I N2 O3 S
• Calculated formula: C34 H32 Br I N2 O3 S
• SMILES: [I-].Brc1ccc(S(=O)(=O)[O-])cc1.[n+]1(ccc(cc1)/C=C/c1ccccc1)C.[n+]1(ccc(cc1)/C=C/c1ccccc1)C
• Title of publication: Bis[(<i>E</i>)-1-methyl-4-styrylpyridinium] 4-bromobenzenesulfonate iodide
• Authors of publication: Surasit, Chanasuk; Chantrapromma, Suchada; Chanawanno, Kullapa; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1372 - o1373
• a: 7.7766 ± 0.0002 Å
• b: 32.2737 ± 0.0009 Å
• c: 12.8009 ± 0.0004 Å
• α: 90°
• β: 96.097 ± 0.002°
• γ: 90°
• Cell volume: 3194.59 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes