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Information card for entry 2018221
Preview
| Coordinates | 2018221.cif |
|---|---|
| Structure factors | 2018221.hkl |
| Original IUCr paper | HTML |
| Common name | Pd_iii |
|---|---|
| Chemical name | <i>trans</i>-dichloridobis(triphenylphosphane)palladium(II) |
| Formula | C36 H30 Cl2 P2 Pd |
| Calculated formula | C36 H30 Cl2 P2 Pd |
| SMILES | [Pd]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)Cl |
| Title of publication | Weak C—H···Cl—Pd interactions toward conformational polymorphism in <i>trans</i>-dichloridobis(triphenylphosphane)palladium(II) |
| Authors of publication | Corrêa, Rodrigo S.; Graminha, Angélica E.; Ellena, Javier; Batista, Alzir A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | m304 - m306 |
| a | 9.983 ± 0.0003 Å |
| b | 11.3023 ± 0.0003 Å |
| c | 15.6037 ± 0.0005 Å |
| α | 89.947 ± 0.002° |
| β | 89.539 ± 0.001° |
| γ | 63.926 ± 0.001° |
| Cell volume | 1581.34 ± 0.08 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0989 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for all reflections included in the refinement | 0.1275 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180851 (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 2/01/82. |
2018221.cif 2018221.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. |
2018221.cif 2018221.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018221.cif 2018221.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. | 2018221.cif 2018221.hkl |
| 27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2018221.cif 2018221.hkl |
| 27599 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2018221 via cif-deposit CGI script. |
2018221.cif |
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Users of the data should acknowledge the original authors of the
structural data.