Information card for entry 7710062

Structure parameters

• Formula: C10 H18 Br2 Hg S4
• Calculated formula: C10 H18 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: 18.1737 ± 0.001 Å
• b: 4.5256 ± 0.0002 Å
• c: 19.0929 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1570.33 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0204
• Residual factor for significantly intense reflections: 0.0182
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.0451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No