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Information card for entry 4326679
Preview
Coordinates | 4326679.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H21 Fe3 O4 P |
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Calculated formula | C25 H21 Fe3 O4 P |
SMILES | [Fe]123456([Fe]789%10([P]1([Fe]1%11%12%13(C#[O])(C#[O])[cH]%14[cH]1[cH]%11[cH]%12[cH]%13%14)c1ccccc1)(C#[O])([cH]1[cH]%10[cH]9[cH]8[cH]71)[H]6)(C#[O])[cH]1[cH]2[cH]3[cH]4[cH]51 |
Title of publication | Synthesis and Decarbonylation Reactions of the Triiron Phosphinidene Complex [Fe3Cp3(μ-H)(μ3-PPh)(CO)4]: Easy Cleavage and Formation of P-H and Fe-Fe Bonds |
Authors of publication | Celedonio M. Alvarez; M. Angeles Alvarez; M. Esther García; Rocío González; Alberto Ramos; Miguel A. Ruiz |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 10937 - 10948 |
a | 10.8336 ± 0.0003 Å |
b | 13.5644 ± 0.0004 Å |
c | 16.2488 ± 0.0007 Å |
α | 90° |
β | 109.481 ± 0.001° |
γ | 90° |
Cell volume | 2251.09 ± 0.13 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0375 |
Residual factor for significantly intense reflections | 0.0311 |
Weighted residual factors for significantly intense reflections | 0.0847 |
Weighted residual factors for all reflections included in the refinement | 0.1032 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.186 |
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/4326679.html
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Users of the data should acknowledge the original authors of the
structural data.