Information card for entry 2011659

Structure parameters

• Common name: Bis(N-methyl-2-chloropyridinium)-iodide-triiodide
• Formula: C12 H14 Cl2 I4 N2
• Calculated formula: C12 H14 Cl2 I4 N2
• SMILES: I[I][I-].[I-].Clc1[n+](cccc1)C.Clc1[n+](cccc1)C
• Title of publication: Bis(2-chloro-<i>N</i>-methylpyridinium) iodide triiodide
• Authors of publication: Heigel, Erik; Bock, Hans; Seibel, Andreas
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 12
• Pages of publication: e604 - e605
• a: 7.2902 ± 0.0007 Å
• b: 23.644 ± 0.002 Å
• c: 12.0207 ± 0.0009 Å
• α: 90°
• β: 106.448 ± 0.006°
• γ: 90°
• Cell volume: 1987.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes