Information card for entry 1566107

Structure parameters

• Formula: C8 H12 I3 N
• Calculated formula: C8 H12 I3 N
• 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: 9.3195 ± 0.0008 Å
• b: 6.6052 ± 0.0006 Å
• c: 11.0657 ± 0.0009 Å
• α: 90°
• β: 114.095 ± 0.003°
• γ: 90°
• Cell volume: 621.82 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0205
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.0518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No