Information card for entry 7251725

Structure parameters

• Formula: C10 H8 Cl Hg N3 S
• Calculated formula: C10 H8 Cl Hg N3 S
• 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: 10.5813 ± 0.0019 Å
• b: 14.597 ± 0.003 Å
• c: 7.8316 ± 0.0014 Å
• α: 90°
• β: 105.946 ± 0.004°
• γ: 90°
• Cell volume: 1163.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0603
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No