Information card for entry 2224291

Structure parameters

• Chemical name: Potassium 2-[(2-carboxyphenyl)disulfanyl]benzoate‒2,2'-disulfanediyldibenzoic acid (1/1)
• Formula: C28 H19 K O8 S4
• Calculated formula: C28 H19 K O8 S4
• SMILES: [K+].S(Sc1c(cccc1)C(=O)O)c1c(C(=O)[O-])cccc1.S(Sc1c(cccc1)C(=O)O)c1c(C(=O)O)cccc1
• Title of publication: Potassium 2-[(2-carboxyphenyl)disulfanyl]benzoate‒2,2'-disulfanediyldibenzoic acid (1/1)
• Authors of publication: Arman, Hadi D.; Poplaukhin, Pavel; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3202
• a: 11.1128 ± 0.0014 Å
• b: 12.1225 ± 0.0015 Å
• c: 12.5344 ± 0.0012 Å
• α: 65.501 ± 0.008°
• β: 64.216 ± 0.008°
• γ: 80.144 ± 0.01°
• Cell volume: 1383.5 ± 0.3 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes