Information card for entry 4081609

Structure parameters

• Formula: C38 H54 B N7 O Y
• Calculated formula: C38 H54 B N7 O Y
• SMILES: [Y]12([n]3n([BH](n4[n]1c(C)cc4C)n1[n]2c(C)cc1C)c(cc3C)C)(Nc1c(cccc1C(C)C)C(C)C)(Cc1ccccc1)[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: 10.512 ± 0.005 Å
• b: 12.113 ± 0.006 Å
• c: 17.836 ± 0.009 Å
• α: 105.404 ± 0.008°
• β: 90.678 ± 0.008°
• γ: 114.511 ± 0.007°
• Cell volume: 1972.8 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1519
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.1718
• Weighted residual factors for all reflections included in the refinement: 0.2007
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No