Information card for entry 1566106

Structure parameters

• Formula: C8 H12 I3 N Sn
• Calculated formula: C8 H12 I3 N Sn
• Title of publication: Electronic mobility and crystal structures of 2,5-dimethylanilinium triiodide and tin-based organic-inorganic hybrid compounds
• Authors of publication: Kamminga, Machteld E.; Gélvez-Rueda, María C.; Maheshwari, Sudeep; van Droffelaar, Irene S.; Baas, Jacob; Blake, Graeme R.; Grozema, Ferdinand C.; Palstra, Thomas T.M.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2019
• Journal volume: 270
• Pages of publication: 593 - 600
• a: 17.2991 ± 0.0009 Å
• b: 17.2991 ± 0.0009 Å
• c: 17.2991 ± 0.0009 Å
• α: 117.373 ± 0.002°
• β: 117.373 ± 0.002°
• γ: 117.373 ± 0.002°
• Cell volume: 2143.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :R
• Hall space group symbol: P 3* -2n
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No