Information card for entry 2200854

Structure parameters

• Common name: pyromellitic diimide / dimethylsulfoxide (1/2)
• Formula: C14 H16 N2 O6 S2
• Calculated formula: C14 H16 N2 O6 S2
• SMILES: c12C(=O)NC(=O)c2cc2c(c1)C(=O)NC2=O.CS(C)=O.CS(C)=O
• Title of publication: A 1:2 complex of pyromellitic diimide and dimethyl sulfoxide
• Authors of publication: Bond, Andrew D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: o194 - o195
• a: 12.4152 ± 0.0011 Å
• b: 5.3266 ± 0.0002 Å
• c: 13.8046 ± 0.0012 Å
• α: 90°
• β: 114.533 ± 0.003°
• γ: 90°
• Cell volume: 830.49 ± 0.11 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• 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: 0.0752
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes