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Information card for entry 2239560
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| Coordinates | 2239560.cif |
|---|---|
| Structure factors | 2239560.hkl |
| Original IUCr paper | HTML |
| Chemical name | Chlorido{2-[(dimethylamino)methyl]benzeneselenolato-\ κ^2^<i>N</i>,<i>Se</i>}(triphenylphosphane-κ<i>P</i>)palladium(II) |
|---|---|
| Formula | C27 H27 Cl N P Pd Se |
| Calculated formula | C27 H27 Cl N P Pd Se |
| SMILES | c12c(cccc1)C[N](C)(C)[Pd]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)[Se]2 |
| Title of publication | Chlorido{2-[(dimethylamino)methyl]benzeneselenolato-κ^2^<i>N</i>,<i>Se</i>}(triphenylphosphane-κ<i>P</i>)palladium(II) |
| Authors of publication | Takaluoma, Esther M.; Oilunkaniemi, Raija; Laitinen, Risto S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | m215 |
| a | 13.3528 ± 0.0003 Å |
| b | 15.0683 ± 0.0004 Å |
| c | 15.0721 ± 0.0003 Å |
| α | 78.857 ± 0.001° |
| β | 66.385 ± 0.001° |
| γ | 63.82 ± 0.001° |
| Cell volume | 2493.06 ± 0.1 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0568 |
| Residual factor for significantly intense reflections | 0.0313 |
| Weighted residual factors for significantly intense reflections | 0.0531 |
| Weighted residual factors for all reflections included in the refinement | 0.0584 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
| 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. |
2239560.cif 2239560.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. |
2239560.cif 2239560.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. |
2239560.cif 2239560.hkl |
| 113937 | 2014-05-18 | cif/ hkl/ Adding structures of 2239560 via cif-deposit CGI script. |
2239560.cif 2239560.hkl |
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Users of the data should acknowledge the original authors of the
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