Information card for entry 7050069

Structure parameters

• Common name: tris(2-hydroxypyridine)-2-hydroxypyridinium triiodide
• Chemical name: tris(2-hydroxypyridine)-2-hydroxypyridinium triiodide
• Formula: C20 H21 I3 N4 O4
• Calculated formula: C20 H21 I3 N4 O4
• Title of publication: Synthesis, X-ray characterization and study of new ionic complexes of 2-pyridone, obtained by oxidation with I2
• Authors of publication: Antoniadis, Constantinos D.; Hadjikakou, Sotiris K.; Hadjiliadis, Nick; Kubicki, Maciej; Butler, Ian S.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2005
• Journal volume: 29
• Journal issue: 5
• Pages of publication: 714
• a: 14.0652 ± 0.0011 Å
• b: 15.6176 ± 0.0014 Å
• c: 11.5015 ± 0.0011 Å
• α: 90°
• β: 99.635 ± 0.007°
• γ: 90°
• Cell volume: 2490.8 ± 0.4 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No