Information card for entry 7050070

Structure parameters

• Common name: hexakis(2-hydroxypyridine)-bis(2-hydroxypyridinium) di- heptaiodide diiodine iodate
• Chemical name: hexakis(2-hydroxypyridine)-bis(2-hydroxypyridinium) di-heptaiodide diiodine iodate
• Formula: C40 H42 I13 N8 O8
• Calculated formula: C40 H42 I13 N8 O8
• 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: 11.2119 ± 0.0016 Å
• b: 12.6039 ± 0.0018 Å
• c: 23.715 ± 0.003 Å
• α: 78.545 ± 0.012°
• β: 76.688 ± 0.012°
• γ: 86.422 ± 0.012°
• Cell volume: 3195.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2058
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 0.772
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No