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Information card for entry 4067870
Preview
Coordinates | 4067870.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H43 N O5 P2 Pd |
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Calculated formula | C52 H43 N O5 P2 Pd |
SMILES | [Pd]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[CH](=[CH]1C(=O)Oc1ccc(OC)cc1)c1ccc(N(=O)=O)cc1 |
Title of publication | Influence of Electronically and Sterically Tunable Cinnamate Ligands on the Spectroscopic, Kinetic, and Thermodynamic Properties of Bis(triphenylphosphine)palladium(0) Olefin Complexes |
Authors of publication | Buchner, Magnus R.; Bechlars, Bettina; Wahl, Bernhard; Ruhland, Klaus |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 2 |
Pages of publication | 588 |
a | 23.3448 ± 0.0009 Å |
b | 9.6937 ± 0.0003 Å |
c | 19.6595 ± 0.0007 Å |
α | 90° |
β | 92.46 ± 0.002° |
γ | 90° |
Cell volume | 4444.8 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0331 |
Residual factor for significantly intense reflections | 0.0274 |
Weighted residual factors for significantly intense reflections | 0.0628 |
Weighted residual factors for all reflections included in the refinement | 0.0653 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.955 |
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/4067870.html
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