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Information card for entry 4084730
Preview
Coordinates | 4084730.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H42 Fe O6 P2 |
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Calculated formula | C28 H42 Fe O6 P2 |
SMILES | [Fe]1234([P]56OCC(CO6)(CO5)CC)([P]56OCC(CO5)(CO6)CC)(c5ccccc5)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C |
Title of publication | Oxygen Atom Insertion into Iron(II) Phenyl and Methyl Bonds: A Key Step for Catalytic Hydrocarbon Functionalization |
Authors of publication | Mei, Jiajun; Pardue, Daniel B.; Kalman, Steven E.; Gunnoe, T. Brent; Cundari, Thomas R.; Sabat, Michal |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 19 |
Pages of publication | 5597 |
a | 9.8062 ± 0.0006 Å |
b | 11.0049 ± 0.0007 Å |
c | 13.4473 ± 0.0008 Å |
α | 87.573 ± 0.001° |
β | 87.291 ± 0.001° |
γ | 81.991 ± 0.001° |
Cell volume | 1434.48 ± 0.15 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 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 | 0.0282 |
Residual factor for significantly intense reflections | 0.0275 |
Weighted residual factors for significantly intense reflections | 0.0755 |
Weighted residual factors for all reflections included in the refinement | 0.0759 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
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/4084730.html
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