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Information card for entry 4065725
Preview
Coordinates | 4065725.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H41 B2 N2 O Y |
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Calculated formula | C25 H41 B2 N2 O Y |
SMILES | CC1=CC(C)=[N](c2c(cccc2C)C)[Y]2345([H][BH]([H]5)[H]2)([H][BH]([H]3)[H]4)(N1c1c(cccc1C)C)([O]1CCCC1) |
Title of publication | β-Diketiminato Rare-Earth Metal Complexes. Structures, Catalysis, and Active Species for Highlycis-1,4-Selective Polymerization of Isoprene |
Authors of publication | Li, Danfeng; Li, Shihui; Cui, Dongmei; Zhang, Xuequan |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 9 |
Pages of publication | 2186 |
a | 12.6209 ± 0.0006 Å |
b | 16.4405 ± 0.0008 Å |
c | 13.805 ± 0.0006 Å |
α | 90° |
β | 109.947 ± 0.001° |
γ | 90° |
Cell volume | 2692.6 ± 0.2 Å3 |
Cell temperature | 186.5 ± 0.2 K |
Ambient diffraction temperature | 186.5 ± 0.2 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 | 0.052 |
Residual factor for significantly intense reflections | 0.0333 |
Weighted residual factors for significantly intense reflections | 0.0799 |
Weighted residual factors for all reflections included in the refinement | 0.0868 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
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/4065725.html
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Users of the data should acknowledge the original authors of the
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