Information card for entry 1575933

Structure parameters

• Formula: C112 H103 Cl4 K O11 Pr Si5
• Calculated formula: C111 H101 Cl2 K O11 Pr Si5
• Title of publication: Accessing homoleptic neutral and anionic five-coordinate Pr(iv) siloxide complexes.
• Authors of publication: Pandey, Pragati; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Sienkiewicz, Andrzej; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 44
• Pages of publication: 21056 - 21067
• a: 14.1726 ± 0.0002 Å
• b: 28.1742 ± 0.0007 Å
• c: 26.7761 ± 0.0004 Å
• α: 90°
• β: 103.81 ± 0.0017°
• γ: 90°
• Cell volume: 10382.7 ± 0.3 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1329
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1828
• Weighted residual factors for all reflections included in the refinement: 0.2107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No