Information card for entry 7710451

Structure parameters

• Formula: C17 H27 Cl2 N3 O S2 Zn
• Calculated formula: C17 H27 Cl2 N3 O S2 Zn
• SMILES: [Zn]12(Cl)(Cl)[NH]3CCS[C@]3(c3[n]1c(ccc3)[C@@]1(SCC[NH]21)C)C.O1CCCC1.[Zn]12(Cl)(Cl)[NH]3CCS[C@@]3(c3[n]1c(ccc3)[C@]1(SCC[NH]21)C)C.O1CCCC1
• Title of publication: Cluster Self-Assembly and Anion Binding by Metal Complexes of Non-Innocent Thiazolidinyl-Thiolate Ligands
• Authors of publication: Riffel, Madeline N.; Siegel, Lukas; Oliver, Allen Grayson; Tsui, Emily Y.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 7.4771 ± 0.001 Å
• b: 26.631 ± 0.004 Å
• c: 11.1219 ± 0.0014 Å
• α: 90°
• β: 107.701 ± 0.002°
• γ: 90°
• Cell volume: 2109.8 ± 0.5 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No