Information card for entry 1571345

Structure parameters

• Formula: C66 H54 N3 O3 Si3 Tb
• Calculated formula: C66 H54 N3 O3 Si3 Tb
• Title of publication: Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.
• Authors of publication: Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 18
• Pages of publication: 6874 - 6883
• a: 13.79296 ± 0.00019 Å
• b: 22.3194 ± 0.0002 Å
• c: 18.4603 ± 0.0002 Å
• α: 90°
• β: 91.7441 ± 0.0012°
• γ: 90°
• Cell volume: 5680.38 ± 0.11 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.065
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No