Information card for entry 8104981

Structure parameters

• Formula: C6 H9 I5 N2 O3
• Calculated formula: C6 H9 I5 N2 O3
• Title of publication: The crystal structure of 6-amino-5-carboxypyridin-1-ium pentaiodide monohydrate C6H9I5N2O3
• Authors of publication: Li, Dan-Xia; Wang, Hai-Jun; Yan, Zhen-Li; Du, Chao-Jun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 1
• Pages of publication: 135 - 136
• a: 7.4851 ± 0.0005 Å
• b: 9.6056 ± 0.0006 Å
• c: 12.4084 ± 0.0007 Å
• α: 109.119 ± 0.003°
• β: 99.341 ± 0.003°
• γ: 92.334 ± 0.003°
• Cell volume: 827.53 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0336
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0422
• Weighted residual factors for all reflections included in the refinement: 0.0449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No