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Information card for entry 1519512
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Coordinates | 1519512.cif |
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Formula | C28 H45 F3 N O3 P Pd S |
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Calculated formula | C28 H45 F3 N O3 P Pd S |
SMILES | C(F)(F)(F)S(=O)(=O)O[Pd]1(c2c(C[N]1(C)C)cccc2)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1 |
Title of publication | (Tricyclohexylphosphine)-(trifluoromethanesulfonato-O)-(2-((dimethylamino) methul)phenyl-C,N)-palladium |
Authors of publication | Gelbrich, Thomas; Hursthouse, Michael B.; Cazin, C. S. J.; Bedford, R. B.; Horton, Peter N.; Light, Mark E.; Coles, Simon J. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2002 |
Pages of publication | 35 |
a | 9.2892 ± 0.0002 Å |
b | 9.6862 ± 0.0002 Å |
c | 16.786 ± 0.0006 Å |
α | 90° |
β | 92.111 ± 0.001° |
γ | 90° |
Cell volume | 1509.33 ± 0.07 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 8 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.042 |
Residual factor for significantly intense reflections | 0.0341 |
Weighted residual factors for significantly intense reflections | 0.0734 |
Weighted residual factors for all reflections included in the refinement | 0.0772 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.903 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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