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Information card for entry 7039622
Preview
Coordinates | 7039622.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H24 Fe2 O10 P2 |
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Calculated formula | C38 H24 Fe2 O10 P2 |
SMILES | [Fe]([P](c1ccccc1)(c1ccccc1)Oc1cccc(c1)O[P]([Fe](C#[O])(C#[O])(C#[O])C#[O])(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O] |
Title of publication | Direct synthesis of dicarbonyl PCP-iron hydride complexes and catalytic dehydrogenative borylation of styrene. |
Authors of publication | Jiang, Shi; Quintero-Duque, Samuel; Roisnel, Thierry; Dorcet, Vincent; Grellier, Mary; Sabo-Etienne, Sylviane; Darcel, Christophe; Sortais, Jean-Baptiste |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 27 |
Pages of publication | 11101 - 11108 |
a | 11.8597 ± 0.0006 Å |
b | 12.268 ± 0.0006 Å |
c | 14.269 ± 0.0007 Å |
α | 65.773 ± 0.002° |
β | 80.922 ± 0.003° |
γ | 77.876 ± 0.003° |
Cell volume | 1845.01 ± 0.16 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0633 |
Residual factor for significantly intense reflections | 0.0452 |
Weighted residual factors for significantly intense reflections | 0.0965 |
Weighted residual factors for all reflections included in the refinement | 0.105 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
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/7039622.html
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