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Information card for entry 4068820
Preview
| Coordinates | 4068820.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H54 Cl2 Pd2 |
|---|---|
| Calculated formula | C64 H54 Cl2 Pd2 |
| SMILES | [Pd]123([Cl][Pd]45([Cl]1)C(=C(c1ccc(cc1)C)c1ccc(cc1)C)[C]14=[C]5(c4c([C@@H]1C)cccc4)c1ccccc1)C(=C(c1ccc(cc1)C)c1ccc(cc1)C)[C]12=[C]3(c2c([C@@H]1C)cccc2)c1ccccc1.[Pd]123([Cl][Pd]45([Cl]1)C(=C(c1ccc(cc1)C)c1ccc(cc1)C)[C]14=[C]5(c4c([C@H]1C)cccc4)c1ccccc1)C(=C(c1ccc(cc1)C)c1ccc(cc1)C)[C]12=[C]3(c2c([C@H]1C)cccc2)c1ccccc1 |
| Title of publication | Synthesis of Novel Dimeric Allylpalladium(II) Complexes from PdCl2-Promoted Ring-Opening Reactions of Vinylidenecyclopropanes |
| Authors of publication | Gu, Xingxing; Wang, Feijun; Qi, Ming-hui; Shao, Li-xiong; Shi, Min |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 5 |
| Pages of publication | 1569 |
| a | 16.1405 ± 0.0011 Å |
| b | 16.7692 ± 0.0011 Å |
| c | 22.9735 ± 0.0016 Å |
| α | 90° |
| β | 104.337 ± 0.001° |
| γ | 90° |
| Cell volume | 6024.4 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1019 |
| Residual factor for significantly intense reflections | 0.063 |
| Weighted residual factors for significantly intense reflections | 0.1951 |
| Weighted residual factors for all reflections included in the refinement | 0.214 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178578 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/88. |
4068820.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4068820.cif |
| 39990 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4068820 via cif-deposit CGI script. |
4068820.cif |
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Users of the data should acknowledge the original authors of the
structural data.