Information card for entry 2230954

Structure parameters

• Chemical name: 1,1'-(Ethane-1,2-diyl)dipyridinium bis(iodate)
• Formula: C12 H14 I2 N2 O6
• Calculated formula: C12 H14 I2 N2 O6
• SMILES: I(=O)(=O)[O-].[n+]1(ccccc1)CC[n+]1ccccc1.I(=O)(=O)[O-]
• Title of publication: 1,1'-(Ethane-1,2-diyl)dipyridinium bis(iodate)
• Authors of publication: Gholizadeh, Mostafa; Maleki, Behrooz; Pourayoubi, Mehrdad; Kia, Mehdi; Notash, Behrouz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1614 - o1615
• a: 7.9357 ± 0.0004 Å
• b: 10.231 ± 0.0004 Å
• c: 18.6041 ± 0.0009 Å
• α: 90°
• β: 91.017 ± 0.004°
• γ: 90°
• Cell volume: 1510.23 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes