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Information card for entry 1548706
Preview
Coordinates | 1548706.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H35 F12 Fe N9 O2 P2 |
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Calculated formula | C30 H35 F12 Fe N9 O2 P2 |
SMILES | [Fe]123([n]4c(N5C=2N(C=C5)C(N2C=3N(C=C2)c2[n]1cccc2)COC(=O)CCCCC)cccc4)([N]#CC)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC |
Title of publication | Synthesis, characterization and derivatization of hydroxyl-functionalized iron(ii) bis(NHC) complexes. |
Authors of publication | Lindhorst, Anja C.; Kaspar, Manuel; Altmann, Philipp J.; Pöthig, Alexander; Kühn, Fritz E |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2018 |
Journal volume | 47 |
Journal issue | 6 |
Pages of publication | 1857 - 1867 |
a | 8.7808 ± 0.0006 Å |
b | 14.773 ± 0.0011 Å |
c | 15.2524 ± 0.0011 Å |
α | 76.461 ± 0.002° |
β | 87.564 ± 0.002° |
γ | 79.042 ± 0.002° |
Cell volume | 1888.5 ± 0.2 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 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 | 0.0816 |
Residual factor for significantly intense reflections | 0.0706 |
Weighted residual factors for significantly intense reflections | 0.1601 |
Weighted residual factors for all reflections included in the refinement | 0.1658 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
Diffraction radiation probe | x-ray |
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/1548706.html
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