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Information card for entry 2239559
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| Coordinates | 2239559.cif |
|---|---|
| Structure factors | 2239559.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')dichloridopalladium(II) 1,4-dioxane hemisolvate |
|---|---|
| Formula | C12 H12 Cl2 N2 O Pd |
| Calculated formula | C12 H12 Cl2 N2 O Pd |
| SMILES | [n]12[Pd]([n]3ccccc3c1cccc2)(Cl)Cl.O1CCOCC1 |
| Title of publication | (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')dichloridopalladium(II) 1,4-dioxane hemisolvate |
| Authors of publication | Gutiérrez Márquez, Ricardo Alfredo; Crisóstomo-Lucas, Carmela; Morales-Morales, David; Hernández-Ortega, Simón |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | m218 |
| a | 7.2416 ± 0.0005 Å |
| b | 14.6215 ± 0.001 Å |
| c | 12.9562 ± 0.0009 Å |
| α | 90° |
| β | 105.423 ± 0.002° |
| γ | 90° |
| Cell volume | 1322.44 ± 0.16 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0685 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.1365 |
| Weighted residual factors for all reflections included in the refinement | 0.1532 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181895 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/95. |
2239559.cif 2239559.hkl |
| 181314 | 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 2/23/95. |
2239559.cif 2239559.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. |
2239559.cif 2239559.hkl |
| 113936 | 2014-05-18 | cif/ hkl/ Adding structures of 2239559 via cif-deposit CGI script. |
2239559.cif 2239559.hkl |
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