Information card for entry 1576788

Structure parameters

• Formula: C43 H57 I2 Nd S
• Calculated formula: C43 H57 I2 Nd S
• Title of publication: Unexpected dispersion-stabilized tris(terphenylthiolate) complexes, Ln(SAriPr6)3, arising from two-electron reduction by Ln(SAriPr6)2 [AriPr6 = C6H3-2,6-(C6H2-2,6,4-iPr3)2]
• Authors of publication: Luevano, Makayla R.; Stennett, Cary R.; Ma, Eric; Ziller, Joseph W.; Furche, Filipp; Evans, William J.
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 14.301 ± 0.003 Å
• b: 16.545 ± 0.003 Å
• c: 19.403 ± 0.004 Å
• α: 75.445 ± 0.003°
• β: 79.623 ± 0.003°
• γ: 74.563 ± 0.003°
• Cell volume: 4251.6 ± 1.5 ų
• Cell temperature: 93.14 K
• Ambient diffraction temperature: 93.14 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No