Information card for entry 4084971

Structure parameters

• Formula: C114 H136 N6 O2 Y2
• Calculated formula: C114 H136 N6 O2 Y2
• SMILES: C1=C(C)N(c2c(cccc2C(C)C)C(C)C)[Y]23([N](=C1C)c1c(cccc1C(C)C)C(C)C)N(C(Cc1ccccc1)Cc1ccccc1)c1c([O]3[Y]34([O]2c2c(cccc2)N4C(Cc2ccccc2)Cc2ccccc2)N(C(=CC(=[N]3c2c(cccc2C(C)C)C(C)C)C)C)c2c(cccc2C(C)C)C(C)C)cccc1.c1(ccccc1)C.c1(ccccc1)C
• 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: 12.547 ± 0.0018 Å
• b: 12.808 ± 0.0018 Å
• c: 16.237 ± 0.002 Å
• α: 99.343 ± 0.002°
• β: 95.631 ± 0.002°
• γ: 94.906 ± 0.002°
• Cell volume: 2548.6 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1764
• 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