Information card for entry 2215800

Structure parameters

• Chemical name: 2,2'-Bipyridinium 1-oxide triiodide
• Formula: C10 H9 I3 N2 O
• Calculated formula: C10 H9 I3 N2 O
• SMILES: c1cccc(c2[nH+]cccc2)n1=O.[I-](I)I
• Title of publication: 2,2'-Bipyridinium 1-oxide triiodide
• Authors of publication: Lin, Xiao Lan; Wang, Yun Jie; Chen, Zhi Rong; Liu, Ji Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4322 - o4322
• a: 7.9714 ± 0.0016 Å
• b: 12.045 ± 0.002 Å
• c: 15.434 ± 0.003 Å
• α: 90°
• β: 91.44 ± 0.03°
• γ: 90°
• Cell volume: 1481.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0715
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes