Information card for entry 1551730

Structure parameters

• Formula: C12 H14 I2 N2 O8
• Calculated formula: C12 H14 I2 N2 O8
• SMILES: c1cccc[n+]1CC[n+]1ccccc1.[O-][I](=O)(=O)=O.[I](=O)(=O)(=O)[O-]
• Title of publication: Synthesis and Crystal Structure of Bis pyridinium 1,2-Ethane periodate
• Authors of publication: GHOLIZADEH, Mostafa; HOJATI, Seyyedeh Fatemeh; POURAYOUBI, Mehrdad; MALEKI, Behrooz; KIA, Mehdi; NOTASH, Behrouz
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2011
• Journal volume: 27
• Pages of publication: 47
• a: 6.2405 ± 0.0012 Å
• b: 7.2635 ± 0.0015 Å
• c: 10.1 ± 0.002 Å
• α: 100.02 ± 0.03°
• β: 94.59 ± 0.03°
• γ: 100.02 ± 0.03°
• Cell volume: 441.07 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0772
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1732
• Weighted residual factors for all reflections included in the refinement: 0.2452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No