Information card for entry 7252063

Structure parameters

• Formula: C33 H37 Hg I2 N8 O2 S2
• Calculated formula: C33 H37 Hg I2 N8 O2 S2
• Title of publication: Bis-thiosemicarbazone functions as a selective chemosensor with the lowest LOD for Hg ions in water-rich medium: implications for on-site detection and logic gate experiments
• Authors of publication: Sharma, Sanyog; Patra, Nabajyoti; Kaur, Navdeep; Pati, Pratap Kumar; Mandal, Sanjay; Bharatam, P. V.; Lobana, Tarlok Singh
• Journal of publication: RSC Advances
• Year of publication: 2026
• Journal volume: 16
• Journal issue: 32
• Pages of publication: 29291 - 29304
• a: 10.583 ± 0.002 Å
• b: 22.795 ± 0.005 Å
• c: 16.55 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3992.5 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No