Information card for entry 7711912

Structure parameters

• Common name: AB180
• Formula: C11 H12 Hg N6 S4
• Calculated formula: C11 H12 Hg N6 S4
• 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: 14.1931 ± 0.0011 Å
• b: 8.7482 ± 0.0007 Å
• c: 13.6781 ± 0.0011 Å
• α: 90°
• β: 101.975 ± 0.003°
• γ: 90°
• Cell volume: 1661.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0187
• Residual factor for significantly intense reflections: 0.0159
• Weighted residual factors for significantly intense reflections: 0.0338
• Weighted residual factors for all reflections included in the refinement: 0.0347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No