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Information card for entry 2237228
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| Coordinates | 2237228.cif |
|---|---|
| Structure factors | 2237228.hkl |
| Original IUCr paper | HTML |
| Chemical name | (Benzyl isocyanide-κ<i>C</i>^1^)chlorido(2-chloro-3-dimethylamino-1-phenylprop- 1-en-1-yl-κ^2^<i>C</i>^1^,<i>N</i>)palladium(II) |
|---|---|
| Formula | C19 H20 Cl2 N2 Pd |
| Calculated formula | C19 H20 Cl2 N2 Pd |
| SMILES | [Pd]1(C(c2ccccc2)=C(Cl)C[N]1(C)C)(Cl)C#[N]Cc1ccccc1 |
| Title of publication | (Benzyl isocyanide-κ<i>C</i>^1^)chlorido(2-chloro-3-dimethylamino-1-phenylprop-1-en-1-yl-κ^2^<i>C</i>^1^,<i>N</i>)palladium(II) |
| Authors of publication | Mafud, Ana C.; Oliviera, Milene A. R.; Gambardella, Maria T. P. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 1 |
| Pages of publication | m36 |
| a | 6.2529 ± 0.0007 Å |
| b | 11.0931 ± 0.001 Å |
| c | 27.64 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1917.2 ± 0.3 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 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 | 0.0891 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for all reflections included in the refinement | 0.0854 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181294 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/72. |
2237228.cif 2237228.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237228.cif 2237228.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237228.cif 2237228.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2237228.cif 2237228.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237228.cif 2237228.hkl |
| 73457 | 2013-02-20 | cif/ Adding structures of 2237228 via cif-deposit CGI script. |
2237228.cif |
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