Information card for entry 2223172

Structure parameters

• Chemical name: 6,12-Dihydrodipyrido[1,2-<i>a</i>:1',2'-<i>d</i>]pyrazinium bis(perchlorate)
• Formula: C12 H12 Cl2 N2 O8
• Calculated formula: C12 H12 Cl2 N2 O8
• SMILES: [n+]12ccccc1C[n+]1ccccc1C2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: 6,12-Dihydrodipyrido[1,2-<i>a</i>:1',2'-<i>d</i>]pyrazinium bis(perchlorate)
• Authors of publication: Kim, Nam-Ho; Ha, Kwang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2203
• a: 8.1632 ± 0.0008 Å
• b: 13.9396 ± 0.0014 Å
• c: 13.5903 ± 0.0013 Å
• α: 90°
• β: 96.023 ± 0.002°
• γ: 90°
• Cell volume: 1537.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.144
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes