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Information card for entry 7040960
Preview
Coordinates | 7040960.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H29 Cl3 F3 N O P Rh |
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Calculated formula | C36 H29 Cl3 F3 N O P Rh |
SMILES | ClCCl.Fc1ccc(cc1)[P](c1ccc(F)cc1)(c1ccc(F)cc1)[Rh]1(C(=O)c2cccc3c2[n]1ccc3)([C@H]1C[C@@H]2C[C@H]1C=C2)Cl.ClCCl.Fc1ccc(cc1)[P](c1ccc(F)cc1)(c1ccc(F)cc1)[Rh]1(C(=O)c2cccc3c2[n]1ccc3)([C@@H]1C[C@H]2C[C@@H]1C=C2)Cl |
Title of publication | A pentacoordinated norbornenyl-acyl-rhodium(iii) complex as a likely intermediate in the catalytic hydroacylation of norbornadiene. |
Authors of publication | Almenara, N.; Ibarlucea, L.; Mendicute-Fierro, C; Seco, J. M.; Rodríguez-Diéguez, A; Garralda, M. A.; Huertos, M. A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 46 |
Pages of publication | 18502 - 18509 |
a | 12.3494 ± 0.0006 Å |
b | 14.4492 ± 0.0007 Å |
c | 20.1293 ± 0.0009 Å |
α | 69.671 ± 0.002° |
β | 79.77 ± 0.002° |
γ | 76.835 ± 0.002° |
Cell volume | 3260.5 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0657 |
Residual factor for significantly intense reflections | 0.0483 |
Weighted residual factors for significantly intense reflections | 0.1188 |
Weighted residual factors for all reflections included in the refinement | 0.1339 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
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/7040960.html
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Users of the data should acknowledge the original authors of the
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