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Information card for entry 4079952
Preview
Coordinates | 4079952.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H49 Co N4 O3 |
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Calculated formula | C45 H49 Co N4 O3 |
SMILES | [Co](=C1N(c2c(cc(cc2C)C)C)C=CN1c1c(cc(cc1C)C)C)(C#[O])(C#[O])C#[O].n1(c2c(cc(cc2C)C)C)c[n+](c2c(cc(cc2C)C)C)cc1 |
Title of publication | NHC Complexes of Cobalt(II) Relevant to Catalytic C‒C Coupling Reactions |
Authors of publication | Przyojski, Jacob A.; Arman, Hadi D.; Tonzetich, Zachary J. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 3 |
Pages of publication | 723 |
a | 22.234 ± 0.006 Å |
b | 11.708 ± 0.003 Å |
c | 15.39 ± 0.004 Å |
α | 90° |
β | 93.626 ± 0.003° |
γ | 90° |
Cell volume | 3998.2 ± 1.8 Å3 |
Cell temperature | 98 ± 2 K |
Ambient diffraction temperature | 98 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0698 |
Residual factor for significantly intense reflections | 0.0582 |
Weighted residual factors for significantly intense reflections | 0.1178 |
Weighted residual factors for all reflections included in the refinement | 0.1254 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
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/4079952.html
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Users of the data should acknowledge the original authors of the
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