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Information card for entry 2018836
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| Coordinates | 2018836.cif |
|---|---|
| Structure factors | 2018836.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido{<i>N</i>-[2-(diphenylphosphanyl)benzylidene]-2-methylaniline}palladium(II) acetonitrile monosolvate |
|---|---|
| Formula | C28 H25 Cl2 N2 P Pd |
| Calculated formula | C28 H25 Cl2 N2 P Pd |
| SMILES | [Pd]1(Cl)(Cl)[P](c2c(C=[N]1c1ccccc1C)cccc2)(c1ccccc1)c1ccccc1.N#CC |
| Title of publication | Dichlorido{<i>N</i>-[2-(diphenylphosphanyl)benzylidene]-2-methylaniline}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 | 2013 |
| Journal volume | 69 |
| Journal issue | 3 |
| Pages of publication | 209 - 211 |
| a | 32.35 ± 0.003 Å |
| b | 9.9963 ± 0.0003 Å |
| c | 20.8851 ± 0.0016 Å |
| α | 90° |
| β | 128.423 ± 0.013° |
| γ | 90° |
| Cell volume | 5291.2 ± 1.2 Å3 |
| Cell temperature | 99.9 ± 0.3 K |
| Ambient diffraction temperature | 99.9 ± 0.3 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0388 |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for significantly intense reflections | 0.0713 |
| Weighted residual factors for all reflections included in the refinement | 0.0752 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180857 (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 2/01/88. |
2018836.cif 2018836.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. |
2018836.cif 2018836.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2018836.cif 2018836.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2018836.cif 2018836.hkl |
| 78856 | 2013-04-02 | cif/ Adding structures of 2018836 via cif-deposit CGI script. |
2018836.cif |
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Users of the data should acknowledge the original authors of the
structural data.