Information card for entry 4081610

Structure parameters

• Formula: C36 H57 B N9 O2 Y
• Calculated formula: C36 H57 B N9 O2 Y
• SMILES: [Y]123(N(C(=NC(C)C)N1C(C)C)c1ccccc1)([n]1n([BH](n4[n]2c(cc4C)C)n2[n]3c(cc2C)C)c(cc1C)C)([O]1CCCC1)[O]1CCCC1
• Title of publication: Reactivity of Scorpionate-Anchored Yttrium Alkyl Primary Amido Complexes toward Carbodiimides. Insertion Selectivity of Y‒NHAr and Y‒CH2Ph Bonds
• Authors of publication: Yi, Weiyin; Huang, Shujian; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 19
• Pages of publication: 5409
• a: 10.117 ± 0.003 Å
• b: 17.313 ± 0.005 Å
• c: 22.763 ± 0.007 Å
• α: 90°
• β: 101.302 ± 0.004°
• γ: 90°
• Cell volume: 3910 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.114
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No