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Information card for entry 7119194
Preview
Coordinates | 7119194.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H48 B Fe N8 P |
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Calculated formula | C48 H48 B Fe N8 P |
SMILES | [Fe]1234([PH](Cc5c(N6C=4N(C=C6)[B](N4C=1N(C=C4)c1c(cc(cc1C)C)C)(N1C=2N(C=C1)c1c(cc(cc1C)C)C3)c1ccccc1)c(cc(c5)C)C)c1ccccc1)[N]#N |
Title of publication | Arrested α-hydride migration activates a phosphido ligand for C-H insertion. |
Authors of publication | Hickey, Anne K.; Muñoz, Salvador B; Lutz, Sean A.; Pink, Maren; Chen, Chun-Hsing; Smith, Jeremy M. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2016 |
Journal volume | 53 |
Journal issue | 2 |
Pages of publication | 412 - 415 |
a | 12.2416 ± 0.0005 Å |
b | 12.4664 ± 0.0005 Å |
c | 13.9258 ± 0.0006 Å |
α | 106.384 ± 0.001° |
β | 90.0628 ± 0.0011° |
γ | 91.3197 ± 0.001° |
Cell volume | 2038.29 ± 0.15 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 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 | 0.1122 |
Residual factor for significantly intense reflections | 0.0622 |
Weighted residual factors for all reflections | 0.1774 |
Weighted residual factors for significantly intense reflections | 0.1361 |
Weighted residual factors for all reflections included in the refinement | 0.1771 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1659 |
Diffraction radiation wavelength | 0.41328 Å |
Diffraction radiation type | synchrotron |
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/7119194.html
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