Information card for entry 7710450

Structure parameters

• Formula: C13 H18 I N3 S2 Zn
• Calculated formula: C13 H18 I N3 S2 Zn
• SMILES: I[Zn]123SCC[N]1=C(c1[n]2c(ccc1)C1(SCC[NH]31)C)C
• 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: 7.4049 ± 0.0003 Å
• b: 10.627 ± 0.0004 Å
• c: 12.0415 ± 0.0005 Å
• α: 104.41 ± 0.002°
• β: 101.754 ± 0.002°
• γ: 107.114 ± 0.001°
• Cell volume: 836.94 ± 0.06 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0259
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections included in the refinement: 0.0412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No