Information card for entry 7117166

Structure parameters

• Common name: 2-Ethylimidazolium Sulfate
• Formula: C10 H16 N4 O4 S
• Calculated formula: C10 H16 N4 O4 S
• SMILES: c1(CC)[nH]cc[nH+]1.[O-]S(=O)(=O)[O-].c1(CC)[nH]cc[nH+]1
• Title of publication: Supramolecular imidazolium frameworks: direct analogues of metal azolate frameworks with charge-inverted node-and-linker structure
• Authors of publication: Cristina Mottillo; Tomislav Friscic
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 8924
• a: 9.642 ± 0.011 Å
• b: 15.986 ± 0.017 Å
• c: 9.334 ± 0.01 Å
• α: 90°
• β: 92.708 ± 0.012°
• γ: 90°
• Cell volume: 1437 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No