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Information card for entry 4066903
Preview
Coordinates | 4066903.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H37 Co F3 O7 P S |
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Calculated formula | C38 H37 Co F3 O7 P S |
SMILES | [Co]12345(C(CS(=O)(=O)c6ccccc6)=CC(=[O]1)OCC)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[cH]1[cH]2[cH]3[cH]4[cH]51.FC(F)(F)C(=O)[O-].CO |
Title of publication | Protonation of Cobalt−Allene Constitutional Isomers: Highly Selective Formation of Cobalt−Allyl and Oxacobaltacyclopentadiene Complexes |
Authors of publication | O’Connor, Joseph M.; Chen, Ming-Chou; Holland, Ryan L. |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 23 |
Pages of publication | 6161 |
a | 14.805 Å |
b | 16.209 Å |
c | 15.207 Å |
α | 90° |
β | 105.16° |
γ | 90° |
Cell volume | 3522.29 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0448 |
Residual factor for significantly intense reflections | 0.0375 |
Weighted residual factors for significantly intense reflections | 0.0932 |
Weighted residual factors for all reflections included in the refinement | 0.0985 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
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/4066903.html
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