Information card for entry 7251726

Structure parameters

• Formula: C10 H8 Cl Hg N3 Se
• Calculated formula: C10 H8 Cl Hg N3 Se
• Title of publication: Influence of pseudohalide anions on non-covalent supramolecular synthons in Hg(ii) complexes with an 8-aminoquinoline ligand: DFT approach and biological implications.
• Authors of publication: Majumdar, Dhrubajyoti; Frontera, Antonio; Philip, Jessica Elizabeth; Gassoumi, Bouzid; Burguera, Sergi; Roy, Sourav; Ayachi, Sahbi
• Journal of publication: RSC advances
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 332 - 352
• a: 10.78 ± 0.017 Å
• b: 14.69 ± 0.02 Å
• c: 7.948 ± 0.012 Å
• α: 90°
• β: 106.55 ± 0.04°
• γ: 90°
• Cell volume: 1206 ± 3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0744
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No