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Information card for entry 7222387
Preview
Coordinates | 7222387.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H35 F12 Fe N9 O3 P2 |
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Calculated formula | C41 H35 F12 Fe N9 O3 P2 |
SMILES | [Fe]12([n]3c(N4C=1N(C=C4)CN1C=2N(C=C1)c1ncccc1)cccc3)(C#[N]c1ccc(OC)cc1)(C#[N]c1ccc(OC)cc1)C#[N]c1ccc(OC)cc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Isocyanide Substitution Reactions at the Trans Labile Sites of an Iron(II) N-Heterocyclic Carbene Complex |
Authors of publication | Haslinger, Stefan; Lindhorst, Anja Cosima; Kück, Jens Wilhelm; Cokoja, Mirza; Pöthig, Alexander; Kühn, Fritz Elmar |
Journal of publication | RSC Adv. |
Year of publication | 2015 |
a | 8.0891 ± 0.0001 Å |
b | 21.862 ± 0.0003 Å |
c | 24.941 ± 0.0003 Å |
α | 90° |
β | 96.721 ± 0.001° |
γ | 90° |
Cell volume | 4380.35 ± 0.1 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 7 |
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 | 0.0426 |
Residual factor for significantly intense reflections | 0.038 |
Weighted residual factors for significantly intense reflections | 0.1016 |
Weighted residual factors for all reflections included in the refinement | 0.1059 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7222387.html
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