Information card for entry 7250392

Structure parameters

• Formula: C12 H30 Br6 N2 Zn
• Calculated formula: C12 H30 Br6 N2 Zn
• Title of publication: Halogen-regulating synthesis of a novel semiconductor hybrid material [(CH3)3N(CH2)3Br]2ZnBr4 with high-temperature phase transition
• Authors of publication: Rebhi, Yosra; Dakhlaoui, Imen; Karoui, Karim; Hajlaoui, Fadhel; Drissi, Nidhal; Zaghrioui, Mustapha; Autret, Cecile; Audebrand, Nathalie; Dorcet, Vincent; Jomni, Fethi
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2025
• a: 23.572 ± 0.003 Å
• b: 9.4987 ± 0.001 Å
• c: 15.8731 ± 0.0016 Å
• α: 90°
• β: 91.44 ± 0.004°
• γ: 90°
• Cell volume: 3552.9 ± 0.7 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1077
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No