Information card for entry 7117173

Structure parameters

• Common name: 2-phenylbenzimidazolium selenate
• Formula: C26 H22 N4 O4 Se
• Calculated formula: C26 H22 N4 O4 Se
• 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: 9.611 ± 0.004 Å
• b: 10.852 ± 0.004 Å
• c: 11.918 ± 0.005 Å
• α: 83.339 ± 0.006°
• β: 72.175 ± 0.005°
• γ: 88.808 ± 0.005°
• Cell volume: 1175.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1047
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No