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Information card for entry 4068441
Preview
Coordinates | 4068441.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H36 Cl N3 Pd |
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Calculated formula | C30 H36 Cl N3 Pd |
SMILES | [Pd]1(Cl)([N](Cc2c1cccc2)(C)C)=C1N(C=CN1c1ccccc1C(C)C)c1ccccc1C(C)C |
Title of publication | Practical One-Pot, Three-Component Synthesis of N-Heterocyclic Carbene (NHC) Ligated Palladacycles Derived fromN,N-Dimethylbenzylamine |
Authors of publication | Kantchev, Eric Assen B.; Ying, Jackie Y. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 1 |
Pages of publication | 289 |
a | 13.1003 ± 0.0007 Å |
b | 15.2782 ± 0.0008 Å |
c | 15.1532 ± 0.0008 Å |
α | 90° |
β | 115.028 ± 0.001° |
γ | 90° |
Cell volume | 2748.1 ± 0.3 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0588 |
Residual factor for significantly intense reflections | 0.0422 |
Weighted residual factors for significantly intense reflections | 0.091 |
Weighted residual factors for all reflections included in the refinement | 0.0974 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
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/4068441.html
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