Information card for entry 7710065

Structure parameters

• Formula: C40 H72 Cu4 I4 S16
• Calculated formula: C40 H72 Cu4 I4 S16
• 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: 18.4505 ± 0.0006 Å
• b: 18.2209 ± 0.0005 Å
• c: 19.1191 ± 0.0007 Å
• α: 90°
• β: 110.044 ± 0.001°
• γ: 90°
• Cell volume: 6038.2 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0253
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections included in the refinement: 0.0478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No