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Information card for entry 4071888
Preview
Coordinates | 4071888.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C61 H51 B Cl9 F4 P2 Rh |
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Calculated formula | C61 H51 B Cl9 F4 P2 Rh |
SMILES | [B](F)(F)(F)[F-].c12ccc(cc1)c1cccc3cc4cccc(c4cc13)c1ccc(cc1)[P](c1ccccc1)(c1ccccc1)[Rh]134([CH]5=[CH]1CC[CH]3=[CH]4CC5)[P]2(c1ccccc1)c1ccccc1.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl |
Title of publication | New Trans-Chelating Ligands and Their Complexes and Catalytic Properties in the Mizoroki−Heck Arylation of Cyclohexene |
Authors of publication | Kaganovsky, Luba; Cho, Kyung-Bin; Gelman, Dmitri |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 19 |
Pages of publication | 5139 |
a | 11.0563 ± 0.0005 Å |
b | 26.6545 ± 0.0013 Å |
c | 20.6206 ± 0.001 Å |
α | 90° |
β | 104.7 ± 0.001° |
γ | 90° |
Cell volume | 5878 ± 0.5 Å3 |
Cell temperature | 173 ± 1 K |
Ambient diffraction temperature | 173 ± 1 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1217 |
Residual factor for significantly intense reflections | 0.0817 |
Weighted residual factors for significantly intense reflections | 0.1824 |
Weighted residual factors for all reflections included in the refinement | 0.2044 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
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/4071888.html
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