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Information card for entry 2239338
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| Coordinates | 2239338.cif |
|---|---|
| Structure factors | 2239338.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (4-Fluorophenyl-κ<i>C</i>)(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')(trifluoromethyl-κ<i>C</i>)palladium(II) |
|---|---|
| Formula | C13 H20 F4 N2 Pd |
| Calculated formula | C13 H20 F4 N2 Pd |
| SMILES | C[N]1(C)CC[N](C)(C)[Pd]1(c1ccc(cc1)F)C(F)(F)F |
| Title of publication | (4-Fluorophenyl-κ<i>C</i>)(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')(trifluoromethyl-κ<i>C</i>)palladium(II) |
| Authors of publication | Du, Youzhi; Zheng, ChangGe |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | m179 |
| a | 16.6651 ± 0.0019 Å |
| b | 8.3464 ± 0.0009 Å |
| c | 11.471 ± 0.0013 Å |
| α | 90° |
| β | 103.063 ± 0.002° |
| γ | 90° |
| Cell volume | 1554.3 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0289 |
| Residual factor for significantly intense reflections | 0.0262 |
| Weighted residual factors for significantly intense reflections | 0.0655 |
| Weighted residual factors for all reflections included in the refinement | 0.0671 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181893 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/93. |
2239338.cif 2239338.hkl |
| 181312 | 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 2/23/93. |
2239338.cif 2239338.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. |
2239338.cif 2239338.hkl |
| 109621 | 2014-04-17 | cif/ hkl/ Adding structures of 2239338 via cif-deposit CGI script. |
2239338.cif 2239338.hkl |
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Users of the data should acknowledge the original authors of the
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