Information card for entry 7710058

Structure parameters

• Formula: C10 H20 Br2 Hg S4
• Calculated formula: C10 H20 Br2 Hg S4
• Title of publication: 2,2’-Ethylenebis(1,3-dithiane) as polydentate m2-, m4- and m5-assembling ligand for the construction of sulphur-rich Cu(I), Hg(II) and heterometallic Cu(I)/Hg(II) coordination polymers featuring uncommon network architectures
• Authors of publication: Viau, Lydie; Knorr, Michael; Knauer, Lena; Brieger, Lukas; Strohman, Carsten
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 8.2203 ± 0.0003 Å
• b: 22.7657 ± 0.0009 Å
• c: 4.4494 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 832.66 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0213
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0326
• Weighted residual factors for all reflections included in the refinement: 0.0334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No