Information card for entry 2212594

Structure parameters

• Chemical name: Tetra-n-butylammonium iodide
• Formula: C16 H36 I N
• Calculated formula: C16 H36 I N
• SMILES: [I-].[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Tetra-<i>n</i>-butylammonium iodide: a space-group revision
• Authors of publication: Prukała, Wiesław; Marciniec, Bogdan; Kubicki, Maciej
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1464 - o1466
• a: 14.2806 ± 0.0006 Å
• b: 14.1864 ± 0.0006 Å
• c: 19.5951 ± 0.0007 Å
• α: 90°
• β: 111.149 ± 0.003°
• γ: 90°
• Cell volume: 3702.4 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes