Information card for entry 7206240

Structure parameters

• Formula: C13 H12 I2 N O
• Calculated formula: C13 H12 I2 N O
• Title of publication: Structural transformation of pyridinium iodide proceeding in the solid state
• Authors of publication: Yoshida, Jun; Fuchiwaki, Junta; Nishikiori, Shin-Ichi
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 14
• Pages of publication: 4635
• a: 9.1134 ± 0.0003 Å
• b: 11.0264 ± 0.0004 Å
• c: 14.6077 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1467.9 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0145
• Residual factor for significantly intense reflections: 0.0136
• Weighted residual factors for all reflections included in the refinement: 0.0306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No