Information card for entry 7240506

Structure parameters

• Formula: C5 H5 I2 N
• Calculated formula: C5 H5 I2 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: 15.0849 ± 0.0007 Å
• b: 4.7247 ± 0.0002 Å
• c: 11.2538 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 802.08 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0232
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections included in the refinement: 0.0422
• Goodness-of-fit parameter for all reflections included in the refinement: 0.871
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No