Information card for entry 7710453

Structure parameters

• Formula: C21 H28 F3 N5 O3 S3 Zn
• Calculated formula: C21 H28 F3 N5 O3 S3 Zn
• 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: 10.4962 ± 0.0009 Å
• b: 15.1654 ± 0.0013 Å
• c: 17.7981 ± 0.0015 Å
• α: 72.637 ± 0.001°
• β: 78.326 ± 0.001°
• γ: 89.942 ± 0.001°
• Cell volume: 2642.7 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0569
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No