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Information card for entry 2232342
Preview
| Coordinates | 2232342.cif |
|---|---|
| Structure factors | 2232342.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>SP</i>-4-2)-Chlorido{<i>N</i>-[2- (diphenylphosphanyl)benzylidene]benzylamine- κ^2^<i>P</i>,<i>N</i>}(methyl)palladium(II) |
|---|---|
| Formula | C27 H25 Cl N P Pd |
| Calculated formula | C27 H25 Cl N P Pd |
| SMILES | [Pd]1(Cl)(C)[P](c2ccccc2)(c2ccccc2)c2ccccc2C=[N]1Cc1ccccc1 |
| Title of publication | (<i>SP</i>-4-2)-Chlorido{<i>N</i>-[2-(diphenylphosphanyl)benzylidene]benzylamine-κ^2^<i>P</i>,<i>N</i>}(methyl)palladium(II) |
| Authors of publication | Chiririwa, Haleden; Meijboom, Reinout |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m1498 |
| a | 10.0147 ± 0.0008 Å |
| b | 21.8935 ± 0.0018 Å |
| c | 10.7478 ± 0.0008 Å |
| α | 90° |
| β | 94.192 ± 0.002° |
| γ | 90° |
| Cell volume | 2350.2 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0432 |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for significantly intense reflections | 0.0859 |
| Weighted residual factors for all reflections included in the refinement | 0.0908 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181245 (current) | 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 2/23/23. |
2232342.cif 2232342.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. |
2232342.cif 2232342.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232342.cif 2232342.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2232342.cif 2232342.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232342.cif 2232342.hkl |
| 30997 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232342 via cif-deposit CGI script. |
2232342.cif |
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