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Information card for entry 4075260
Preview
Coordinates | 4075260.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H27 F3 N4 O4 Pd S |
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Calculated formula | C32 H27 F3 N4 O4 Pd S |
SMILES | [Pd]12([n]3c(c4[n]2cccc4)cccc3)Oc2c(C(=[N]1c1ccc(cc1)C)Nc1ccc(cc1)C)cccc2.S(=O)(=O)([O-])C(F)(F)F |
Title of publication | Reactivity of Ortho-Palladated Phenol Derivatives with Unsaturated Molecules. Carbodiimide Insertion into a C−Pd Bond and/or O−H Phenol Addition to a Carbodiimide |
Authors of publication | Vicente, José; Abad, José Antonio; López-Sáez, María-José; Jones, Peter G. |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 8 |
Pages of publication | 1851 |
a | 13.8541 ± 0.0011 Å |
b | 12.0079 ± 0.0011 Å |
c | 18.647 ± 0.0014 Å |
α | 90° |
β | 100.035 ± 0.004° |
γ | 90° |
Cell volume | 3054.6 ± 0.4 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 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 | 0.0611 |
Residual factor for significantly intense reflections | 0.0335 |
Weighted residual factors for significantly intense reflections | 0.0758 |
Weighted residual factors for all reflections included in the refinement | 0.0838 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.943 |
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/4075260.html
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