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Information card for entry 8102690
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| Coordinates | 8102690.cif |
|---|
| Chemical name | (acetylferrocene oxime-<i>k^2^</i><i>C^6^</i>, <i>N</i>)chloro(2-dicyclohexylphosphanyl-2^'^-(N,N-dimethylamino) biphenyl-<i>k</i><i>P</i>)palladium(II), C~38~H~48~ClFeN~2~OPPd |
|---|---|
| Formula | C38 H48 Cl Fe N2 O P Pd |
| Calculated formula | C38 H48 Cl Fe N2 O P Pd |
| SMILES | [Pd]1([c]23[Fe]456789%10([cH]%11[cH]7[cH]6[cH]5[cH]4%11)[cH]2[cH]8[cH]9[c]3%10C(=[N]1O)C)(Cl)[P](C1CCCCC1)(C1CCCCC1)c1ccccc1c1ccccc1N(C)C |
| Title of publication | Crystal structure of (acetylferrocene oxime-k2C6,N)-chloro-(2-dicyclohexylphosphanyl-2'-(N,N-dimethylamino)biphenyl-kP)palladium(II), PdCl[(C7H7NO)Fe(C5H5)][P(C6H11)2(C14H14N)] |
| Authors of publication | Hong Li; Hong-Mei Li; Jun-Ling Si; Duo-Bin Mao; Yu-Qing Zhang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2010 |
| Journal volume | 225 |
| Journal issue | 2 |
| Pages of publication | 333 |
| a | 18.378 ± 0.004 Å |
| b | 11.744 ± 0.002 Å |
| c | 18.808 ± 0.004 Å |
| α | 90° |
| β | 115.89 ± 0.03° |
| γ | 90° |
| Cell volume | 3651.9 ± 1.6 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.0559 |
| Residual factor for significantly intense reflections | 0.0472 |
| Weighted residual factors for significantly intense reflections | 0.1133 |
| Weighted residual factors for all reflections included in the refinement | 0.1192 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102690.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102690.cif |
| 13429 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102690 via cif-deposit CGI script. |
8102690.cif |
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