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Information card for entry 8107011
Preview
| Coordinates | 8107011.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H23 Cl2 N3 Pd |
|---|---|
| Calculated formula | C17 H23 Cl2 N3 Pd |
| SMILES | [Pd]1(Cl)(Cl)[N]2([C@H](CN3C=CN(CC)C=13)CCC2)Cc1ccccc1 |
| Title of publication | Crystal structure of ((1-((1-benzylpyrrolidin-2-yl)methyl)-3-ethyl-1H-imidazol-2(3H)-ylidene)-κ2 C,N)dichloridopalladium(II), C17H23Cl2N3Pd |
| Authors of publication | Qian, Peng-Cheng |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 3 |
| Pages of publication | 799 - 800 |
| a | 9.646 ± 0.0018 Å |
| b | 13.883 ± 0.003 Å |
| c | 14.52 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1944.5 ± 0.7 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0381 |
| Residual factor for significantly intense reflections | 0.0373 |
| Weighted residual factors for significantly intense reflections | 0.0911 |
| Weighted residual factors for all reflections included in the refinement | 0.0917 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.168 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282242 (current) | 2023-04-04 | cif/ Adding structures of 8107011 via cif-deposit CGI script. |
8107011.cif |
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Users of the data should acknowledge the original authors of the
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