Information card for entry 7710452

Structure parameters

• Formula: C17 H26 Cl N3 O S2 Zn
• Calculated formula: C17 H26 Cl N3 O S2 Zn
• SMILES: [Zn]123(Cl)SCC[N]3=C(c3[n]2c(C2(SCC[NH]12)C)ccc3)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: 9.3375 ± 0.0007 Å
• b: 10.4522 ± 0.0008 Å
• c: 12.1145 ± 0.001 Å
• α: 113.635 ± 0.002°
• β: 90.407 ± 0.002°
• γ: 108.202 ± 0.002°
• Cell volume: 1017 ± 0.14 ų
• Cell temperature: 119.99 K
• Ambient diffraction temperature: 119.99 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: 0.046
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No