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Information card for entry 4084971
Preview
Coordinates | 4084971.cif |
---|---|
Original paper (by DOI) | HTML |
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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4084971.html
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Users of the data should acknowledge the original authors of the
structural data.