Information card for entry 7714546

Structure parameters

• Formula: C36 H52 Gd N3 O Si
• Calculated formula: C36 H52 Gd N3 O Si
• SMILES: [Gd]123([O]4C(Cn5c6c(c(CCN1C(=CC(=[N]2c1c(C(C)C)cccc1C(C)C)C)C)c35)cccc6)CCC4)C[Si](C)(C)C
• Title of publication: Synthesis and catalytic activity of tetradentate β-diketiminato rare-earth metal monoalkyl complexes in tandem Oppenauer oxidation and cross-aldol condensation.
• Authors of publication: Zou, Haiyan; Wang, Ziqian; Guo, Dianjun; Zhang, Lijun; Wang, Shaowu; Zhu, Xiancui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 267 - 275
• a: 12.8562 ± 0.0012 Å
• b: 20.653 ± 0.002 Å
• c: 14.1698 ± 0.0013 Å
• α: 90°
• β: 93.444 ± 0.001°
• γ: 90°
• Cell volume: 3755.6 ± 0.6 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 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: 0.0722
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No