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Information card for entry 4083618
Preview
Coordinates | 4083618.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H33 N4 O P Pd S |
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Calculated formula | C31 H33 N4 O P Pd S |
SMILES | [Pd]12(c3cc(ccc3C(=[N]2N=C(S1)NC)C)C)[P](c1ccccc1)(c1ccccn1)c1ccccc1.O=C(C)C |
Title of publication | Novel Bidentate [N,S] Palladacycle Metalloligands.1H‒15N HMBC as a Decisive NMR Technique for the Structural Characterization of Palladium‒Rhodium and Palladium‒Palladium Bimetallic Complexes |
Authors of publication | Pereira, M. Teresa; Antelo, José M.; Adrio, Luis A.; Martínez, Javier; Ortigueira, Juan M.; López-Torres, Margarita; Vila, José M. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Pages of publication | 140612083847005 |
a | 9.663 ± 0.005 Å |
b | 11.932 ± 0.005 Å |
c | 13.589 ± 0.005 Å |
α | 103.13 ± 0.005° |
β | 99.996 ± 0.005° |
γ | 92.067 ± 0.005° |
Cell volume | 1498 ± 1.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0398 |
Residual factor for significantly intense reflections | 0.0283 |
Weighted residual factors for significantly intense reflections | 0.0558 |
Weighted residual factors for all reflections included in the refinement | 0.0586 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.832 |
Diffraction radiation wavelength | 0.71069 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/4083618.html
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Users of the data should acknowledge the original authors of the
structural data.