Information card for entry 2019403

Structure parameters

• Common name: 1,1'-(Ethane-1,2-diyl)dipyridinium peroxodisulfate
• Chemical name: 1,1'-(Ethane-1,2-diyl)dipyridinium hexaoxo-μ-peroxo-disulfate(2-)
• Formula: C12 H14 N2 O8 S2
• Calculated formula: C12 H14 N2 O8 S2
• SMILES: C([n+]1ccccc1)C[n+]1ccccc1.[O-]S(=O)(=O)OOS(=O)(=O)[O-]
• Title of publication: Hirshfeld surface analysis of the 1,1'-(ethane-1,2-diyl)dipyridinium dication in two new salts: perchlorate and peroxodisulfate
• Authors of publication: Gholizadeh, Mostafa; Pourayoubi, Mehrdad; Farimaneh, Masoumeh; Tarahhomi, Atekeh; Dušek, Michal; Eigner, Václav
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: 230 - 235
• a: 8.2189 ± 0.0005 Å
• b: 9.6676 ± 0.0006 Å
• c: 9.8361 ± 0.0004 Å
• α: 90°
• β: 98.359 ± 0.004°
• γ: 90°
• Cell volume: 773.24 ± 0.07 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0309
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.71
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes