Information card for entry 7250851

Structure parameters

• Formula: C12 H18 Cl4 Fe0.2 N4 Zn0.8
• Calculated formula: C12 H18 Cl4 Fe0.204 N4 Zn0.796
• Title of publication: Structure–property relationships in tris(2-amino-5-methylpyridinium) hexabromobismuthate monohydrate with a focus on optical and electrical behavior for optoelectronics applications
• Authors of publication: Altalib, Rima; Ibrahmi, Imen; Ghoudi, Arafet; Znaidia, Sami; Rekik, Walid; Lhoste, Jerome; Oueslati, Abderrazek
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 39
• Pages of publication: 32906 - 32918
• a: 8.0559 ± 0.0007 Å
• b: 14.7738 ± 0.0012 Å
• c: 15.7854 ± 0.0012 Å
• α: 90°
• β: 101.783 ± 0.005°
• γ: 90°
• Cell volume: 1839.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0854
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No