Information card for entry 4349660

Structure parameters

• Formula: C6 H16 I N
• Calculated formula: C6 H16 I N
• Title of publication: Phase sequence in diisopropylammonium iodide: avoided ferroelectricity by the appearance of a reconstructed phase
• Authors of publication: Piecha-Bisiorek, A.; Gągor, A.; Isakov, D.; Zieliński, P.; Gałązka, M.; Jakubas, R.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 3
• Pages of publication: 553
• a: 8.2911 ± 0.0014 Å
• b: 8.3667 ± 0.0014 Å
• c: 8.3092 ± 0.0014 Å
• α: 90°
• β: 118.95 ± 0.011°
• γ: 90°
• Cell volume: 504.38 ± 0.16 ų
• Cell temperature: 405 ± 2 K
• Ambient diffraction temperature: 405 ± 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: 0.1129
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 0.808
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No