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Information card for entry 4122621
Preview
Coordinates | 4122621.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 1_[(CyPBP)CoH]2 |
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Formula | C70 H112 B2 Co2 N4 P4 |
Calculated formula | C70 H112 B2 Co2 N4 P4 |
SMILES | [Co]123456[Co]78([P](CN9c%10c(N(C[P]2(C2CCCCC2)C2CCCCC2)[B]489[H]6)cccc%10)(C2CCCCC2)C2CCCCC2)([P](C2CCCCC2)(C2CCCCC2)CN2[B]37N(c3ccccc23)C[P]1(C1CCCCC1)C1CCCCC1)[H]5.c1ccccc1 |
Title of publication | Boryl-metal bonds facilitate cobalt/nickel-catalyzed olefin hydrogenation. |
Authors of publication | Lin, Tzu-Pin; Peters, Jonas C. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 39 |
Pages of publication | 13672 - 13683 |
a | 11.9963 ± 0.0005 Å |
b | 13.7328 ± 0.0004 Å |
c | 21.8345 ± 0.0008 Å |
α | 90.837 ± 0.002° |
β | 98.991 ± 0.002° |
γ | 110.539 ± 0.002° |
Cell volume | 3317.6 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0431 |
Residual factor for significantly intense reflections | 0.0338 |
Weighted residual factors for significantly intense reflections | 0.0891 |
Weighted residual factors for all reflections included in the refinement | 0.095 |
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/4122621.html
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