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Information card for entry 2204981
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| Coordinates | 2204981.cif |
|---|---|
| Structure factors | 2204981.hkl |
| Original IUCr paper | HTML |
| Chemical name | (S)-(Acetylacetonato-κ^2^O,O')[2-(1-aminoethyl)phenyl- κ^2^C^1^,N]palladium(II) |
|---|---|
| Formula | C13 H17 N O2 Pd |
| Calculated formula | C13 H17 N O2 Pd |
| SMILES | [Pd]12(OC(=CC(=[O]1)C)C)[NH2][C@H](c1ccccc21)C |
| Title of publication | (<i>S</i>)-(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II) |
| Authors of publication | Calmuschi, Beatrice; Englert, Ulli |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 1 |
| Pages of publication | m164 - m165 |
| a | 10.5872 ± 0.0011 Å |
| b | 10.5872 ± 0.0011 Å |
| c | 11.9509 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1339.6 ± 0.2 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 78 |
| Hermann-Mauguin space group symbol | P 43 |
| Hall space group symbol | P 4cw |
| Residual factor for all reflections | 0.0207 |
| Residual factor for significantly intense reflections | 0.0196 |
| Weighted residual factors for significantly intense reflections | 0.0471 |
| Weighted residual factors for all reflections included in the refinement | 0.0476 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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