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Information card for entry 4064032
Preview
| Coordinates | 4064032.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70 H62 N2 O6 Pd2 |
|---|---|
| Calculated formula | C70 H62 N2 O6 Pd2 |
| SMILES | [Pd]12([O]=C(C)O[Pd]3([N](=Cc4ccc5c6c4c3ccc6c3c4c5cccc4ccc3)c4ccc(cc4)CC)[O]=C(O2)C)[N](=Cc2ccc3c4c2c1ccc4c1c2c3cccc2ccc1)c1ccc(cc1)CC.O1CCCC1.C1CCOC1 |
| Title of publication | Cyclopalladated Complexes of Perylene Imine: Formation of Acetato-Bridged Dinuclear Complexes with 6,6- and 5,6-Membered Metallacycles |
| Authors of publication | Lentijo, Sergio; Miguel, Jesús A.; Espinet, Pablo |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 5 |
| Pages of publication | 1059 |
| a | 12.024 ± 0.003 Å |
| b | 14.667 ± 0.003 Å |
| c | 16.54 ± 0.003 Å |
| α | 85.326 ± 0.004° |
| β | 76.814 ± 0.004° |
| γ | 80.801 ± 0.004° |
| Cell volume | 2800.4 ± 1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.112 |
| Residual factor for significantly intense reflections | 0.0593 |
| Weighted residual factors for significantly intense reflections | 0.1241 |
| Weighted residual factors for all reflections included in the refinement | 0.154 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178502 (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 4/06/40. |
4064032.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064032.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064032.cif |
| 32761 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4064032, 4064033 via cif-deposit CGI script. |
4064032.cif |
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Users of the data should acknowledge the original authors of the
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