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Information card for entry 2233647
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| Coordinates | 2233647.cif |
|---|---|
| Structure factors | 2233647.hkl |
| Original IUCr paper | HTML |
| Chemical name | (pyridine-2-carboxaldehyde oximato-κ^2^<i>N</i>,<i>N</i>')(pyridine-2-carboxaldehyde oxime-κ^2^<i>N</i>,<i>N</i>')palladium(II) chloride |
|---|---|
| Formula | C12 H11 Cl N4 O2 Pd |
| Calculated formula | C12 H11 Cl N4 O2 Pd |
| SMILES | c1c2C=[N]([Pd]3([n]2ccc1)[n]1ccccc1C=N3=O)O.[Cl-] |
| Title of publication | A second monoclinic polymorph of (pyridine-2-carboxaldehyde oximato-κ^2^<i>N</i>,<i>N</i>')(pyridine-2-carboxaldehyde oxime-κ^2^<i>N</i>,<i>N</i>')palladium(II) chloride |
| Authors of publication | Ha, Kwang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 2 |
| Pages of publication | m176 - m177 |
| a | 14.0865 ± 0.0016 Å |
| b | 12.1439 ± 0.0014 Å |
| c | 8.2723 ± 0.0009 Å |
| α | 90° |
| β | 114.447 ± 0.002° |
| γ | 90° |
| Cell volume | 1288.2 ± 0.3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0346 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.0721 |
| Weighted residual factors for all reflections included in the refinement | 0.0747 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181258 (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 2/23/36. |
2233647.cif 2233647.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. |
2233647.cif 2233647.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233647.cif 2233647.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. | 2233647.cif 2233647.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233647.cif 2233647.hkl |
| 38460 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2233647 via cif-deposit CGI script. |
2233647.cif |
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