Information card for entry 7710066

Structure parameters

• Formula: C5 H9 Cu2 I2 S2
• Calculated formula: C5 H9 Cu2 I2 S2
• 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: 6.6244 ± 0.0019 Å
• b: 7.837 ± 0.003 Å
• c: 11.23 ± 0.004 Å
• α: 83.032 ± 0.011°
• β: 73.216 ± 0.01°
• γ: 75.644 ± 0.012°
• Cell volume: 540 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No