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Information card for entry 4070229
Preview
Coordinates | 4070229.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H32 Br2 N4 Pd |
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Calculated formula | C24 H32 Br2 N4 Pd |
SMILES | [Pd](Br)(Br)(=C1N(c2ccccc2N1C(C)C)C(C)C)=C1N(N(c2c1cccc2)CC)CC |
Title of publication | 13C NMR Spectroscopic Determination of Ligand Donor Strengths Using N-Heterocyclic Carbene Complexes of Palladium(II) |
Authors of publication | Huynh, Han Vinh; Han, Yuan; Jothibasu, Ramasamy; Yang, Jie An |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 18 |
Pages of publication | 5395 |
a | 9.0856 ± 0.0004 Å |
b | 19.9676 ± 0.0008 Å |
c | 29.0609 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5272.2 ± 0.4 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1182 |
Residual factor for significantly intense reflections | 0.0707 |
Weighted residual factors for significantly intense reflections | 0.177 |
Weighted residual factors for all reflections included in the refinement | 0.2007 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
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/4070229.html
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