Information card for entry 4089281

Structure parameters

• Formula: C67 H111 N2 O3 Si3 Y
• Calculated formula: C67 H111 N2 O3 Si3 Y
• SMILES: c1c(cc2c3c1C(c1cc(cc4c1[O]3[Y](C[Si](C)(C)C)(N2c1c(cc(cc1C(C)C)C(C)C)C(C)C)(N4c1c(cc(cc1C(C)C)C(C)C)C(C)C)[O]1CCCC1)C(C)(C)C)(C)C)C(C)(C)C.[Si](O[Si](C)(C)C)(C)(C)C
• Title of publication: Yttrium and Aluminum Alkyl Complexes of a Rigid Bis-Anilido NON-Donor Ligand: Synthesis and Hydroamination Catalysis
• Authors of publication: Motolko, Kelly S. A.; Emslie, David J. H.; Jenkins, Hilary A.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 8
• Pages of publication: 1601
• a: 24.029 ± 0.002 Å
• b: 14.7584 ± 0.0012 Å
• c: 20.3216 ± 0.0017 Å
• α: 90°
• β: 106.291 ± 0.002°
• γ: 90°
• Cell volume: 6917.3 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.106
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No