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Information card for entry 4087828
Preview
Coordinates | 4087828.cif |
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Original paper (by DOI) | HTML |
Formula | C54 H50 Fe N2 O3 |
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Calculated formula | C54 H50 Fe N2 O3 |
SMILES | [Fe]123([O]=[C]3([C]2(=[C]1(c1ccccc1)c1ccccc1)c1ccccc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1)(=C1N(C(=C(N1C(C)C)C)C)C(C)C)(C#[O])C#[O] |
Title of publication | Three-Coordinate Iron(II) Dialkenyl Compound with NHC Ligation: Synthesis, Structure, and Reactivity |
Authors of publication | Liu, Yuesheng; Wang, Lei; Deng, Liang |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 17 |
Pages of publication | 4401 |
a | 9.9525 ± 0.0009 Å |
b | 14.7619 ± 0.0014 Å |
c | 15.0727 ± 0.0014 Å |
α | 85.76 ± 0.002° |
β | 77.785 ± 0.002° |
γ | 83.179 ± 0.002° |
Cell volume | 2146.3 ± 0.3 Å3 |
Cell temperature | 140 ± 2 K |
Ambient diffraction temperature | 140 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0772 |
Residual factor for significantly intense reflections | 0.0479 |
Weighted residual factors for significantly intense reflections | 0.1054 |
Weighted residual factors for all reflections included in the refinement | 0.1175 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
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/4087828.html
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