Information card for entry 1575354

Structure parameters

• Formula: C39.5 H57 Cl3 N4 O3 Si Th
• Calculated formula: C39.5 H57 Cl3 N4 O3 Si Th
• Title of publication: Comparison of Ce(iv)/Th(iv)-alkynyl complexes and observation of a <i>trans</i>-influence ligand series for Ce(iv).
• Authors of publication: Yang, Qiaomu; Yu, Xiaojuan; Lapsheva, Ekaterina; Pandey, Pragati; Smith, Patrick W.; Gupta, Himanshu; Gau, Michael R.; Carroll, Patrick J.; Minasian, Stefan G.; Autschbach, Jochen; Schelter, Eric J.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 36
• Pages of publication: 16597 - 16609
• a: 11.9331 ± 0.0003 Å
• b: 17.7463 ± 0.0004 Å
• c: 21.5867 ± 0.0009 Å
• α: 90°
• β: 92.847 ± 0.003°
• γ: 90°
• Cell volume: 4565.7 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No