Information card for entry 7117171

Structure parameters

• Common name: Benzimidazolium selenate
• Formula: C14 H14 N4 O4 Se
• Calculated formula: C14 H14 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: 18.5107 ± 0.0019 Å
• b: 18.5107 ± 0.0019 Å
• c: 18.953 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6494.2 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No