Information card for entry 2205186

Structure parameters

• Chemical name: 1,10-phenanthrolin-1-ium 5-sulfosalicylate
• Formula: C19 H14 N2 O6 S
• Calculated formula: C19 H14 N2 O6 S
• SMILES: S(=O)(=O)([O-])c1ccc(O)c(C(=O)O)c1.[nH+]1cccc2ccc3cccnc3c12
• Title of publication: A cation‒anion complex: 1,10-phenanthrolin-1-ium 5-sulfonatosalicylic acid
• Authors of publication: Fan, Sai-Rong; Xiao, Hong-Ping; Zhu, Long-Guan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o253 - o255
• a: 7.0492 ± 0.0009 Å
• b: 10.6716 ± 0.0014 Å
• c: 11.7464 ± 0.0015 Å
• α: 90°
• β: 103.426 ± 0.002°
• γ: 90°
• Cell volume: 859.49 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes