Information card for entry 2205409

Structure parameters

• Chemical name: (3-Iodo-1-pyridinio)acetate‒iodide‒1-carboxymethyl-3-iodo-1-pyridinium‒ (1:1:1)
• Formula: C14 H13 I3 N2 O4
• Calculated formula: C14 H13 I3 N2 O4
• Title of publication: 1-Carboxymethyl-3-iodo-1-pyridinium‒iodide‒(3-iodo-1-pyridinio)acetate (1/1/1)
• Authors of publication: Jones, Peter G.; Cots, Berta; Zerbe, Eva-Maria
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o895 - o897
• a: 10.9984 ± 0.0008 Å
• b: 6.3486 ± 0.0004 Å
• c: 13.2439 ± 0.0012 Å
• α: 90°
• β: 99.768 ± 0.004°
• γ: 90°
• Cell volume: 911.34 ± 0.12 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0524
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes