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Information card for entry 2018726
Preview
| Coordinates | 2018726.cif |
|---|---|
| Structure factors | 2018726.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido{2-[(2,6-diethylphenyl)iminomethyl]quinoline- κ^2^<i>N</i>,<i>N</i>'}palladium(II) acetonitrile monosolvate |
|---|---|
| Formula | C22 H23 Cl2 N3 Pd |
| Calculated formula | C22 H23 Cl2 N3 Pd |
| SMILES | c1cccc2c1ccc1C=[N]([Pd](Cl)(Cl)[n]21)c1c(cccc1CC)CC.C(#N)C |
| Title of publication | Dichlorido{2-[(2,6-diethylphenyl)iminomethyl]quinoline-κ^2^<i>N</i>,<i>N</i>'}palladium(II) acetonitrile monosolvate |
| Authors of publication | Motswainyana, William M.; Onani, Martin O.; Jacobs, Jeroen; Van Meervelt, Luc |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | m356 - m358 |
| a | 7.8874 ± 0.0003 Å |
| b | 19.3046 ± 0.0008 Å |
| c | 14.2966 ± 0.0007 Å |
| α | 90° |
| β | 102.164 ± 0.004° |
| γ | 90° |
| Cell volume | 2127.97 ± 0.16 Å3 |
| Cell temperature | 99.97 ± 0.12 K |
| Ambient diffraction temperature | 99.97 ± 0.12 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.036 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for significantly intense reflections | 0.0669 |
| Weighted residual factors for all reflections included in the refinement | 0.0712 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180856 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/87. |
2018726.cif 2018726.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018726.cif 2018726.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018726.cif 2018726.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. | 2018726.cif 2018726.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2018726.cif 2018726.hkl |
| 71303 | 2013-01-18 | cif/ Adding structures of 2018726 via cif-deposit CGI script. |
2018726.cif |
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Users of the data should acknowledge the original authors of the
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