Information card for entry 7240508

Structure parameters

• Formula: C5 H5 Cl I N
• Calculated formula: C5 H5 Cl I N
• Title of publication: Halogenide anions as halogen and hydrogen bond acceptors in iodopyridinium halogenides
• Authors of publication: Fotović, Luka; Stilinovic, Vladimir
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 4.3369 ± 0.0008 Å
• b: 8.4079 ± 0.0017 Å
• c: 9.736 ± 0.002 Å
• α: 90°
• β: 94.12 ± 0.018°
• γ: 90°
• Cell volume: 354.1 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0968
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.2208
• Weighted residual factors for all reflections included in the refinement: 0.2298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No