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Information card for entry 1549895
Preview
Coordinates | 1549895.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C75 H59 B Co F24 P4 |
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Calculated formula | C75 H59 B Co F24 P4 |
SMILES | [Co]12([P](c3c(C2c2c([P]1(c1ccccc1)c1ccccc1)cccc2)cccc3)(c1ccccc1)c1ccccc1)([P](C)(C)C)[P](C)(C)C.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |
Title of publication | Synthesis and reactivity of a PC<sub>carbene</sub>P cobalt(i) complex: the missing link in the cobalt PXP pincer series (X = B, C, N). |
Authors of publication | Sung, Simon; Wang, Qingyang; Krämer, Tobias; Young, Rowan D. |
Journal of publication | Chemical science |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 43 |
Pages of publication | 8234 - 8241 |
a | 11.8224 ± 0.0006 Å |
b | 19.1322 ± 0.0011 Å |
c | 33.4483 ± 0.0015 Å |
α | 90° |
β | 97.5642 ± 0.0019° |
γ | 90° |
Cell volume | 7499.8 ± 0.7 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
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 | 0.0575 |
Residual factor for significantly intense reflections | 0.0525 |
Weighted residual factors for all reflections | 0.1371 |
Weighted residual factors for significantly intense reflections | 0.1347 |
Weighted residual factors for all reflections included in the refinement | 0.1371 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9405 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1549895.html
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Users of the data should acknowledge the original authors of the
structural data.