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Information card for entry 2241013
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| Coordinates | 2241013.cif |
|---|---|
| Structure factors | 2241013.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | [<i>N</i>,<i>N</i>'-Bis(4-methylphenyl)-1,2-diphenylethane-1,2-\ diimine-κ^2^<i>N</i>,<i>N</i>']dichloridopalladium(II) methanol monosolvate |
|---|---|
| Formula | C29 H28 Cl2 N2 O Pd |
| Calculated formula | C29 H28 Cl2 N2 O Pd |
| SMILES | [Pd]1([N](=C(C(=[N]1c1ccc(cc1)C)c1ccccc1)c1ccccc1)c1ccc(cc1)C)(Cl)Cl.OC |
| Title of publication | Crystal structure of [<i>N</i>,<i>N</i>'-bis(4-methylphenyl)-1,2-diphenylethane-1,2-diimine-κ^2^<i>N</i>,<i>N</i>']dichloridopalladium(II) methanol monosolvate |
| Authors of publication | Peñaloza, Alfredo; Fronczek, Frank R.; Isovitsch, Ralph |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 9 |
| Pages of publication | m164 - m165 |
| a | 8.8213 ± 0.0003 Å |
| b | 12.3364 ± 0.0003 Å |
| c | 12.7697 ± 0.0004 Å |
| α | 108.992 ± 0.002° |
| β | 93.9 ± 0.003° |
| γ | 92.457 ± 0.003° |
| Cell volume | 1307.83 ± 0.07 Å3 |
| Cell temperature | 90 ± 0.5 K |
| Ambient diffraction temperature | 90 ± 0.5 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.043 |
| Residual factor for significantly intense reflections | 0.0313 |
| Weighted residual factors for significantly intense reflections | 0.0617 |
| Weighted residual factors for all reflections included in the refinement | 0.066 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181911 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/10. |
2241013.cif 2241013.hkl |
| 153460 | 2015-08-16 | cif/ hkl/ Adding structures of 2241013 via cif-deposit CGI script. |
2241013.cif 2241013.hkl |
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Users of the data should acknowledge the original authors of the
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