Information card for entry 7714548

Structure parameters

• Formula: C36 H52 Lu N3 O Si
• Calculated formula: C36 H52 Lu N3 O Si
• SMILES: [Lu]123(N(C(=CC(C)=[N]3c3c(cccc3C(C)C)C(C)C)C)CCc3c2n(CC2[O]1CCC2)c1c3cccc1)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: 11.017 ± 0.007 Å
• b: 11.593 ± 0.007 Å
• c: 14.734 ± 0.009 Å
• α: 87.665 ± 0.006°
• β: 82.008 ± 0.015°
• γ: 79.438 ± 0.008°
• Cell volume: 1832 ± 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: 0.0433
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No