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Information card for entry 4341826
Preview
Coordinates | 4341826.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H46 B Co F4 N P2 |
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Calculated formula | C26 H46 B Co F4 N P2 |
SMILES | [Co]12([P](Cc3c2c(ccc3)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)[N]#CC.[B](F)(F)(F)[F-] |
Title of publication | Reactivity of a Series of Isostructural Cobalt Pincer Complexes with CO2, CO, and H(+) |
Authors of publication | Shaffer, David W.; Johnson, Samantha I.; Rheingold, Arnold L.; Ziller, Joseph W.; Goddard, 3rd, William A; Nielsen, Robert J.; Yang, Jenny Y. |
Journal of publication | Inorganic chemistry |
Year of publication | 2014 |
Pages of publication | 141203160549001 |
a | 11.9513 ± 0.0018 Å |
b | 15.225 ± 0.002 Å |
c | 32.953 ± 0.005 Å |
α | 90.5946 ± 0.0019° |
β | 93.9705 ± 0.0017° |
γ | 90.0638 ± 0.0017° |
Cell volume | 5981.4 ± 1.5 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1642 |
Residual factor for significantly intense reflections | 0.112 |
Weighted residual factors for significantly intense reflections | 0.2783 |
Weighted residual factors for all reflections included in the refinement | 0.3216 |
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/4341826.html
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Users of the data should acknowledge the original authors of the
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