Information card for entry 7719531

Structure parameters

• Formula: C14 H28 Br4 Cu N2
• Calculated formula: C14 H28 Br4 Cu N2
• Title of publication: Indications of ferroelectric behaviour near room temperature in the organic-inorganic hybrid Q₂CuBr₄.
• Authors of publication: Ciżman, Agnieszka; Kowalska, Dorota A.; Szarek, Paweł; Medycki, Wojciech; Wójcik, Natalia A; Gusowski, Marek; Trzebiatowska, Monika; Bartosiewicz, Adam; Filevska, Liudmyla; Staniorowski, Piotr; Jach, Ewelina
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 42
• Pages of publication: 15816 - 15832
• a: 9.552 ± 0.003 Å
• b: 17.154 ± 0.005 Å
• c: 12.593 ± 0.004 Å
• α: 90°
• β: 93.34 ± 0.03°
• γ: 90°
• Cell volume: 2059.9 ± 1.1 ų
• Cell temperature: 300.01 ± 0.1 K
• Ambient diffraction temperature: 300.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0875
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No