Information card for entry 2013297

Structure parameters

• Chemical name: Pyromellitic acid‒dimethyl sulfoxide (1/2)
• Formula: C14 H18 O10 S2
• Calculated formula: C14 H18 O10 S2
• SMILES: OC(=O)c1cc(C(=O)O)c(cc1C(=O)O)C(=O)O.CS(=O)C.CS(=O)C
• Title of publication: Ribbons of hydrogen-bonded rings in the 1:2 complex of pyromellitic acid and dimethyl sulfoxide
• Authors of publication: Zhi Min Jin; Yuan Jian Pan; Liang Shen; Mei Chao Li; Mao Lin Hu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: o205 - o206
• a: 7.377 ± 0.001 Å
• b: 7.424 ± 0.001 Å
• c: 8.934 ± 0.001 Å
• α: 80.07 ± 0.01°
• β: 80.97 ± 0.01°
• γ: 76.15 ± 0.01°
• Cell volume: 464.51 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes