Information card for entry 1571164

Structure parameters

• Formula: C6 H17 Br3 N2 O
• Calculated formula: C6 H17 Br3 N2 O
• Title of publication: Metal-free enantiomorphic perovskite [dabcoH₂]²⁺[H₃O]⁺Br^- ₃ and its one-dimensional polar polymorph.
• Authors of publication: Budzianowski, Armand; Petřiček, Vaclav; Katrusiak, Andrzej
• Journal of publication: IUCrJ
• Year of publication: 2022
• Journal volume: 9
• Journal issue: Pt 5
• Pages of publication: 544 - 550
• a: 9.5838 ± 0.0003 Å
• b: 9.5838 ± 0.0003 Å
• c: 23.227 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1847.56 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No