Information card for entry 7117170

Structure parameters

• Common name: 2-phenylbenzimidazolium Sulfate Methanol Solvate
• Formula: C28 H30 N4 O6 S
• Calculated formula: C28 H30 N4 O6 S
• 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: 16.933 ± 0.004 Å
• b: 8.0337 ± 0.0018 Å
• c: 19.688 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2678.3 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1148
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No