Information card for entry 2105069

Structure parameters

• Chemical name: pyridinium chlorochromate
• Formula: C5 H6 Cl Cr N O3
• Calculated formula: C4.98 H6 Cl Cr N1.02 O3
• Title of publication: Structures and phase transitions in a new ferroelectric ‒ pyridinium chlorochromate ‒ studied by X-ray diffraction, DSC and dielectric methods
• Authors of publication: Małuszyńska, Hanna; Czarnecki, Piotr; Czarnecka, Anna; Pajak, Zdzisław
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: 128 - 136
• a: 9.021 ± 0.002 Å
• b: 9.021 ± 0.002 Å
• c: 9.369 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 660.3 ± 0.3 ų
• Cell temperature: 355 ± 0.2 K
• Ambient diffraction temperature: 355 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.3315
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1673
• Weighted residual factors for all reflections included in the refinement: 0.2681
• Goodness-of-fit parameter for all reflections included in the refinement: 0.75
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes