Information card for entry 7130372

Structure parameters

• Chemical name: 3-nitropyridinium periodate
• Formula: C5 H5 I N2 O6
• Calculated formula: C5 H5 I N2 O6
• Title of publication: Periodate anion as halogen bond donor: Formation of anion···anion dimers and other adducts
• Authors of publication: Calabrese, Miriam; Pizzi, Andrea; Daolio, Andrea; Frontera, Antonio; Resnati, Giuseppe
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 5.6795 ± 0.0004 Å
• b: 19.8304 ± 0.0014 Å
• c: 8.0659 ± 0.0006 Å
• α: 90°
• β: 99.643 ± 0.002°
• γ: 90°
• Cell volume: 895.6 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0241
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.0479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No