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Information card for entry 2239248
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| Coordinates | 2239248.cif |
|---|---|
| Structure factors | 2239248.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | {2,6-Bis[(pyridin-2-yl)sulfanylmethyl]pyridine-κ^2^<i>N</i>,<i>N</i>'}(η^3^-prop-2-enyl)palladium(II) hexafluorophosphate |
|---|---|
| Formula | C20 H20 F6 N3 P Pd S2 |
| Calculated formula | C20 H20 F6 N3 P Pd S2 |
| Title of publication | {2,6-Bis[(pyridin-2-yl)sulfanylmethyl]pyridine-κ^2^<i>N</i>,<i>N</i>'}(η^3^-prop-2-enyl)palladium(II) hexafluorophosphate |
| Authors of publication | Bruno, Giuseppe; Nicolò, Francesco; Tresoldi, Giuseppe; Drommi, Dario; Mollica Nardo, Viviana |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 4 |
| Pages of publication | m134 - m135 |
| a | 13.663 ± 0.001 Å |
| b | 13.667 ± 0.001 Å |
| c | 13.727 ± 0.001 Å |
| α | 90° |
| β | 113.01 ± 0.01° |
| γ | 90° |
| Cell volume | 2359.3 ± 0.3 Å3 |
| Cell temperature | 293 ± 1 K |
| Ambient diffraction temperature | 293 ± 1 K |
| Number of distinct elements | 7 |
| 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 | 0.042 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.1046 |
| Weighted residual factors for all reflections included in the refinement | 0.1138 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181892 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/92. |
2239248.cif 2239248.hkl |
| 181311 | 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 2/23/92. |
2239248.cif 2239248.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. |
2239248.cif 2239248.hkl |
| 108820 | 2014-04-03 | cif/ hkl/ Adding structures of 2239248 via cif-deposit CGI script. |
2239248.cif 2239248.hkl |
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