Information card for entry 7710068

Structure parameters

• Formula: C9 H15 Cu Hg I3 N2 S2
• Calculated formula: C9 H15 Cu Hg I3 N2 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: 8.3763 ± 0.0008 Å
• b: 9.3131 ± 0.0008 Å
• c: 14.2531 ± 0.0009 Å
• α: 94.414 ± 0.004°
• β: 102.209 ± 0.004°
• γ: 113.075 ± 0.004°
• Cell volume: 983.86 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0199
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.0529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No