Information card for entry 2227945

Structure parameters

• Chemical name: Tris[2-(2-thienylmethylamino)ethyl]ammonium triiodide
• Formula: C21 H33 I3 N4 S3
• Calculated formula: C21 H33 I3 N4 S3
• Title of publication: Tris[2-(2-thienylmethylamino)ethyl]ammonium triiodide
• Authors of publication: Işıklan, Muhammet; Fronczek, Frank R.; Hossain, Md. Alamgir
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2755
• a: 10.5433 ± 0.0005 Å
• b: 11.4203 ± 0.0006 Å
• c: 24.5107 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2951.3 ± 0.3 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes