Information card for entry 7246663

Structure parameters

• Formula: C6 H9 Cl4 Fe N2
• Calculated formula: C6 H9 Cl4 Fe N2
• SMILES: [Fe](Cl)(Cl)(Cl)[Cl-].Nc1[nH+]cc(cc1)C
• Title of publication: Crystal structure and optical characterization of a new hybrid compound, C6H9N2FeCl4, with large dielectric constants for field-effect transistors
• Authors of publication: Ghoudi, A.; Ben Brahim, Kh.; Ghalla, H.; Lhoste, J.; Auguste, S.; Khirouni, K.; Aydi, A.; Oueslati, A.
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 19
• Pages of publication: 12844 - 12862
• a: 6.4063 ± 0.0004 Å
• b: 14.273 ± 0.0009 Å
• c: 13.2376 ± 0.001 Å
• α: 90°
• β: 90.298 ± 0.003°
• γ: 90°
• Cell volume: 1210.39 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0634
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No