Information card for entry 4302926

Structure parameters

• Formula: C33 H59 B N3 O4 Si2 Y
• Calculated formula: C33 H59 B N3 O4 Si2 Y
• SMILES: [Y]12(C[Si](C)(C)C)(C[Si](C)(C)C)([N]3C(C)(C)COC=3[B](C3=[N]1C(C)(C)CO3)(C1=[N]2C(C)(C)CO1)c1ccccc1)[O]1CCCC1
• Title of publication: Ligand Exchange Reactions and Hydroamination with Tris(oxazolinyl)borato Yttrium Compounds
• Authors of publication: Andrew V. Pawlikowski; Arkady Ellern; Aaron D. Sadow
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 8020 - 8029
• a: 24.245 ± 0.003 Å
• b: 9.8519 ± 0.0011 Å
• c: 32.28 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7710.4 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No