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Information card for entry 8102672
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| Coordinates | 8102672.cif |
|---|
| Chemical name | (acetylferrocene oxime-<i>k^2^</i><i>C^9^</i>, <i>N</i>)chloro(tricyclohexylphosphine-<i>k</i><i>P</i>) palladium(II), C~30~H~45~ClFeNOPPd |
|---|---|
| Formula | C30 H45 Cl Fe N O P Pd |
| Calculated formula | C30 H45 Cl Fe N O P Pd |
| SMILES | [Pd]1([c]23[Fe]456789%10([cH]%11[cH]4[cH]5[cH]6[cH]7%11)[cH]([cH]8[cH]29)[c]3%10C(=[N]1O)C)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)Cl |
| Title of publication | Crystal structure of (acetylferrocene oxime-k2C9,N)-chloro(tricyclohexylphosphine-kP)palladium(II), PdCl[(C7H7NO)Fe(C5H5)][P(C6H11)3] |
| Authors of publication | Su-Zhen Bai; Xin-Hua Lou; Hong-Mei Li; Wei-Chun Yang; Hui Shi |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2010 |
| Journal volume | 225 |
| Journal issue | 2 |
| Pages of publication | 270 |
| a | 13.576 ± 0.003 Å |
| b | 11.824 ± 0.002 Å |
| c | 19.861 ± 0.004 Å |
| α | 90° |
| β | 104.88 ± 0.03° |
| γ | 90° |
| Cell volume | 3081.2 ± 1.1 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 | 0.0632 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.0939 |
| Weighted residual factors for all reflections included in the refinement | 0.1015 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| 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. |
8102672.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102672.cif |
| 13411 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102672 via cif-deposit CGI script. |
8102672.cif |
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