Information card for entry 7711910

Structure parameters

• Common name: AB161
• Formula: C9 H12 B Cl F4 Hg N4 S2
• Calculated formula: C9 H12 B Cl F4 Hg N4 S2
• Title of publication: New Hg(II) coordination polymers based on a thioimidazole ligand with good performance to detoxify Hg(II) and reversibly capture iodine.
• Authors of publication: Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Hoveizi, Elham; Naseri, Nadieh; Mayer, Peter; Centore, Roberto
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 683 - 695
• a: 6.427 ± 0.003 Å
• b: 11.81 ± 0.006 Å
• c: 11.813 ± 0.005 Å
• α: 66.719 ± 0.009°
• β: 81.4 ± 0.009°
• γ: 76.197 ± 0.011°
• Cell volume: 798.3 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No