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Information card for entry 4087921
Preview
Coordinates | 4087921.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H26 F12 Fe N8 P2 |
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Calculated formula | C26 H26 F12 Fe N8 P2 |
SMILES | [Fe]123([n]4c(CN5C=3N(C=C5)Cc3[n]1c(ccc3)c1[n]2cccc1)cccc4)([N]#CC)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC |
Title of publication | NHC Versus Pyridine: How “Teeth” Change the Redox Behavior of Iron(II) Complexes |
Authors of publication | Weiss, Daniel T.; Anneser, Markus R.; Haslinger, Stefan; Pöthig, Alexander; Cokoja, Mirza; Basset, Jean-Marie; Kühn, Fritz E. |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 20 |
Pages of publication | 5155 |
a | 11.8824 ± 0.0002 Å |
b | 12.0225 ± 0.0002 Å |
c | 12.7153 ± 0.0002 Å |
α | 78.107 ± 0.001° |
β | 89.041 ± 0.001° |
γ | 63.764 ± 0.001° |
Cell volume | 1588.62 ± 0.05 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 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 | 0.0374 |
Residual factor for significantly intense reflections | 0.0317 |
Weighted residual factors for significantly intense reflections | 0.0795 |
Weighted residual factors for all reflections included in the refinement | 0.0827 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation probe | x-ray |
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/4087921.html
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Users of the data should acknowledge the original authors of the
structural data.