Information card for entry 7714549

Structure parameters

• Formula: C34 H50 N3 O Si Y
• Calculated formula: C34 H50 N3 O Si Y
• SMILES: [Y]123([O](CCn4c5c(c(c34)CCN2C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)cccc5)C)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: 14.531 ± 0.004 Å
• b: 20.424 ± 0.005 Å
• c: 20.587 ± 0.005 Å
• α: 117.206 ± 0.003°
• β: 92.833 ± 0.003°
• γ: 100.856 ± 0.003°
• Cell volume: 5272 ± 2 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1958
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No