Information card for entry 2205390

Structure parameters

• Chemical name: 1,4-Dimethylpyridinium triiodide
• Formula: C7 H10 I3 N
• Calculated formula: C6.64 H10 I3 N1.36
• Title of publication: 1,4-Dimethylpyridinium triiodide
• Authors of publication: Tan, Xue-Jie; Sun, Si-Xiu; Liu, Shu-Lian; Ma, Jian-Ping; Xing, Dian-Xiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o756 - o757
• a: 5.469 ± 0.002 Å
• b: 7.786 ± 0.003 Å
• c: 8.463 ± 0.003 Å
• α: 108.604 ± 0.005°
• β: 92.357 ± 0.006°
• γ: 107.546 ± 0.005°
• Cell volume: 321.9 ± 0.2 ų
• Cell temperature: 288 ± 2 K
• Ambient diffraction temperature: 288 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes