Information card for entry 4084969

Structure parameters

• Formula: C58 H65 N4 Y
• Calculated formula: C58 H65 N4 Y
• SMILES: [Y]12(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)([n]1c(cccc1)c1c2cccc1)N1C(C=CC=C1c1ccccc1)Cc1ccccc1
• Title of publication: Versatile Reactivity of β-Diketiminato-Supported Yttrium Dialkyl Complex toward Aromatic N-Heterocycles
• Authors of publication: Zhang, Yin; Zhang, Jie; Hong, Jianquan; Zhang, Fangjun; Weng, Linhong; Zhou, Xigeng
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 24
• Pages of publication: 7052
• a: 11.823 ± 0.006 Å
• b: 14.191 ± 0.007 Å
• c: 33.492 ± 0.017 Å
• α: 100.246 ± 0.008°
• β: 91.908 ± 0.009°
• γ: 91.588 ± 0.009°
• Cell volume: 5523 ± 5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1907
• Residual factor for significantly intense reflections: 0.1229
• Weighted residual factors for significantly intense reflections: 0.28
• Weighted residual factors for all reflections included in the refinement: 0.3123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No