Information card for entry 7710454

Structure parameters

• Formula: C42 H54 F9 Fe3 N9 O9 S9
• Calculated formula: C42 H54 F9 Fe3 N9 O9 S9
• 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: 12.1614 ± 0.0006 Å
• b: 12.5289 ± 0.0006 Å
• c: 23.8236 ± 0.0012 Å
• α: 92.007 ± 0.002°
• β: 104.281 ± 0.002°
• γ: 116.218 ± 0.001°
• Cell volume: 3112.3 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.1018
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1613
• Weighted residual factors for all reflections included in the refinement: 0.1743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No