Information card for entry 2010797

Structure parameters

• Chemical name: β-Pyridinium dichloroiodide
• Formula: C5 H6 Cl2 I N
• Calculated formula: C4.99998 H6 Cl2 I N0.99996
• Title of publication: β-Pyridinium dichloroiodide
• Authors of publication: Schulz Lang, Ernesto; Burrow, Robert A.; Diniz, Juraci
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 471 - 472
• a: 8.039 ± 0.0005 Å
• b: 7.694 ± 0.0016 Å
• c: 14.13 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 874 ± 0.2 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1069
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes