Information card for entry 2019402

Structure parameters

• Chemical name: 1,1'-(Ethane-1,2-diyl)dipyridinium bis(perchlorate)
• Formula: C12 H14 Cl2 N2 O8
• Calculated formula: C12 H14 Cl2 N2 O8
• SMILES: C([n+]1ccccc1)C[n+]1ccccc1.[O-]Cl(=O)(=O)=O.[O-]Cl(=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: 6.0687 ± 0.0003 Å
• b: 6.7263 ± 0.0004 Å
• c: 9.8005 ± 0.0003 Å
• α: 97.858 ± 0.004°
• β: 95.503 ± 0.004°
• γ: 100.655 ± 0.004°
• Cell volume: 386.44 ± 0.03 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 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: 0.0336
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.79
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No