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Information card for entry 2239548
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| Coordinates | 2239548.cif |
|---|---|
| Structure factors | 2239548.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido(4,4'-di-<i>tert</i>-butyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')palladium(II) dimethyl sulfoxide monosolvate monohydrate |
|---|---|
| Formula | C20 H32 Cl2 N2 O2 Pd S |
| Calculated formula | C20 H32 Cl2 N2 O2 Pd S |
| Title of publication | Dichlorido(4,4'-di-<i>tert</i>-butyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')palladium(II) dimethyl sulfoxide monosolvate monohydrate |
| Authors of publication | Gutiérrez-Márquez, Ricardo A.; Crisóstomo-Lucas, Carmela; Reyes-Martínez, Reyna; Hernández-Ortega, Simón; Morales-Morales, David |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | m200 - m201 |
| a | 7.4869 ± 0.0003 Å |
| b | 19.5052 ± 0.0008 Å |
| c | 16.8538 ± 0.0007 Å |
| α | 90° |
| β | 102.907 ± 0.001° |
| γ | 90° |
| Cell volume | 2399.03 ± 0.17 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.034 |
| Residual factor for significantly intense reflections | 0.0276 |
| Weighted residual factors for significantly intense reflections | 0.0717 |
| Weighted residual factors for all reflections included in the refinement | 0.0759 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
2239548.cif 2239548.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. |
2239548.cif 2239548.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. |
2239548.cif 2239548.hkl |
| 113316 | 2014-05-10 | cif/ hkl/ Adding structures of 2239548 via cif-deposit CGI script. |
2239548.cif 2239548.hkl |
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