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Information card for entry 4071847
Preview
Coordinates | 4071847.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H43 Cl2 Fe N P2 |
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Calculated formula | C23 H43 Cl2 Fe N P2 |
SMILES | [Fe]12(Cl)(Cl)[P](Cc3[n]2c(ccc3)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C |
Title of publication | Unusual Structural and Spectroscopic Features of Some PNP-Pincer Complexes of Iron |
Authors of publication | Pelczar, Elizabeth M.; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S. |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 22 |
Pages of publication | 5759 |
a | 12.0831 ± 0.0009 Å |
b | 15.5084 ± 0.0012 Å |
c | 14.5049 ± 0.0011 Å |
α | 90° |
β | 91.093 ± 0.002° |
γ | 90° |
Cell volume | 2717.6 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0534 |
Residual factor for significantly intense reflections | 0.0349 |
Weighted residual factors for significantly intense reflections | 0.0753 |
Weighted residual factors for all reflections included in the refinement | 0.0823 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
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/4071847.html
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