Information card for entry 2104217

Structure parameters

• Chemical name: bis-thiourea pyridinium iodide
• Formula: C7 H14 I N5 S2
• Calculated formula: C8 H8 I N4 S2
• Title of publication: Redetermination of the structure and dielectric properties of bis(thiourea) pyridinium iodide ‒ a new ferroelectric inclusion compound
• Authors of publication: Małuszyńska, H.; Czarnecki, P.; Fojud, Z.; Wasicki, J.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: 567 - 572
• a: 15.18 ± 0.003 Å
• b: 11.827 ± 0.002 Å
• c: 8.375 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1503.6 ± 0.5 ų
• Cell temperature: 295 ± 0.2 K
• Ambient diffraction temperature: 295 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 0.737
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKαlpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No