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Information card for entry 2238998
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| Coordinates | 2238998.cif |
|---|---|
| Structure factors | 2238998.hkl |
| Original IUCr paper | HTML |
| Chemical name | [1,4-Bis(diphenylphosphanyl)butane-κ^2^<i>P</i>,<i>P</i>']dibromidopalladium(II) |
|---|---|
| Formula | C28 H28 Br2 P2 Pd |
| Calculated formula | C28 H28 Br2 P2 Pd |
| SMILES | [Pd]1(Br)(Br)[P](c2ccccc2)(c2ccccc2)CCCC[P]1(c1ccccc1)c1ccccc1 |
| Title of publication | [1,4-Bis(diphenylphosphanyl)butane-κ^2^<i>P</i>,<i>P</i>']dibromidopalladium(II) |
| Authors of publication | Ha, Kwang; Song, Yo Soon |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | m41 |
| a | 8.7481 ± 0.0005 Å |
| b | 10.7677 ± 0.0006 Å |
| c | 14.4789 ± 0.0008 Å |
| α | 87.203 ± 0.001° |
| β | 79.389 ± 0.001° |
| γ | 73.929 ± 0.001° |
| Cell volume | 1288.15 ± 0.13 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0652 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.1009 |
| Weighted residual factors for all reflections included in the refinement | 0.1204 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181889 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/89. |
2238998.cif 2238998.hkl |
| 181308 | 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 2/23/89. |
2238998.cif 2238998.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. |
2238998.cif 2238998.hkl |
| 104830 | 2014-03-11 | cif/ hkl/ Adding structures of 2238998 via cif-deposit CGI script. |
2238998.cif 2238998.hkl |
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