Information card for entry 2240823

Structure parameters

• Common name: Diiodo-pyridine
• Chemical name: Pyridine‒diiodine (1/1)
• Formula: C5 H5 I2 N
• Calculated formula: C5 H5 I2 N
• SMILES: I[n+]1ccccc1.[I-]
• Title of publication: Crystal structure of the pyridine‒diiodine (1/1) adduct
• Authors of publication: Tuikka, Matti; Haukka, Matti
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• Pages of publication: o463
• a: 9.2432 ± 0.0006 Å
• b: 4.3392 ± 0.0002 Å
• c: 20.1953 ± 0.0013 Å
• α: 90°
• β: 98.468 ± 0.003°
• γ: 90°
• Cell volume: 801.16 ± 0.08 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes