Information card for entry 1571460

Structure parameters

• Formula: C44 H68 N2 S4 Zn
• Calculated formula: C44 H68 N2 S4 Zn
• Title of publication: Metal-cation-induced shifts in thiolate redox and reduced sulfur speciation.
• Authors of publication: Seo, W. T. Michael; Riffel, Madeline N.; Oliver, Allen G.; Tsui, Emily Y.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 19
• Pages of publication: 7332 - 7341
• a: 15.6496 ± 0.0008 Å
• b: 15.6496 ± 0.0008 Å
• c: 18.1435 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4443.5 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No