Information card for entry 4068985

Structure parameters

• Formula: C70 H90 N3 O3 Si2 Y
• Calculated formula: C70 H90 N3 O3 Si2 Y
• SMILES: [Y]12(OC(=[N]2c2c(cccc2C(C)C)C(C)C)c2c3c(cccc3)ccc2)(OC(=[N]1c1c(C(C)C)cccc1C(C)C)c1c2ccccc2ccc1)([O]1CCCC1)N([Si](C)(C)C)[Si](C)(C)C.c1ccc(C)cc1.c1ccc(cc1)C
• Title of publication: Bis- and Mono(amidate) Complexes of Yttrium: Synthesis, Characterization, and Use as Precatalysts for the Hydroamination of Aminoalkenes
• Authors of publication: Stanlake, Louisa J. E.; Schafer, Laurel L.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 14
• Pages of publication: 3990
• a: 13.2111 ± 0.0008 Å
• b: 20.102 ± 0.0014 Å
• c: 24.9192 ± 0.0017 Å
• α: 90°
• β: 101.524 ± 0.002°
• γ: 90°
• Cell volume: 6484.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0844
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No