Information card for entry 7250350

Structure parameters

• Formula: C18 H20 Cl6 In N2 O2
• Calculated formula: C18 H20 Cl6 In N2 O2
• Title of publication: Synthesis, crystal structure, vibrational study, optical characterization, Hirshfeld surface analysis and dielectric studies of a new indium-based hybrid material formulated as [(C₉H₈N)₂(InCl₆)·2(H₂O)].
• Authors of publication: Khachroum, Hajer; Ben Rhaiem, Abdallah; Abdelbaky, Mohammed S. M.; Dammak, Mohamed; García-Granda, Santiago
• Journal of publication: RSC advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 17
• Pages of publication: 13628 - 13642
• a: 7.4718 ± 0.0003 Å
• b: 8.1648 ± 0.0005 Å
• c: 10.7809 ± 0.0005 Å
• α: 76.573 ± 0.004°
• β: 80.404 ± 0.004°
• γ: 66.171 ± 0.005°
• Cell volume: 583.22 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.136
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1556
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No