Information card for entry 4071273

Structure parameters

• Common name: Bis(1,2-azaborolyl) yttrium alkyl
• Formula: C28 H41 B2 N2 O Si Y
• Calculated formula: C28 H41 B2 N2 O Si Y
• SMILES: [Y]12345678([O]9CCCC9)([N]9([B]1([CH]3=[CH]4[CH]5=9)c1ccccc1)C)([N]1([B]2([CH]6=[CH]7[CH]8=1)c1ccccc1)C)C[Si](C)(C)C
• Title of publication: A Bis(1,2-Azaborolyl)yttrium Alkyl Complex: Synthesis, Structure, and Polymerization Study
• Authors of publication: Fang, Xiangdong; Deng, Yuanfu; Xie, Qinxing; Moingeon, Firmin
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 2892
• a: 9.8641 ± 0.0005 Å
• b: 12.5338 ± 0.0006 Å
• c: 13.7462 ± 0.0006 Å
• α: 102.128 ± 0.001°
• β: 107.478 ± 0.001°
• γ: 108.072 ± 0.001°
• Cell volume: 1452.33 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No