Information card for entry 7130370

Structure parameters

• Chemical name: 4-cyanopyridinium periodate
• Formula: C6 H5 I N2 O4
• Calculated formula: C6 H5 I N2 O4
• 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: 8.4965 ± 0.0007 Å
• b: 20.5064 ± 0.0018 Å
• c: 10.5561 ± 0.0009 Å
• α: 90°
• β: 98.9 ± 0.003°
• γ: 90°
• Cell volume: 1817.1 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No