Information card for entry 7240500

Structure parameters

• Formula: C10 H10 Cl I3 N2
• Calculated formula: C10 H10 Cl I3 N2
• 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: 8.2027 ± 0.0006 Å
• b: 8.8661 ± 0.0005 Å
• c: 11.48 ± 0.0007 Å
• α: 89.566 ± 0.005°
• β: 70.547 ± 0.006°
• γ: 81.668 ± 0.006°
• Cell volume: 778.18 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0647
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No