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Information card for entry 4066594
Preview
| Coordinates | 4066594.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H22 N2 O4 Pd2 |
|---|---|
| Calculated formula | C24 H22 N2 O4 Pd2 |
| SMILES | C12[Pd]3([N](=C(C=C(O3)C)C)c3c1cccc3)[O]=C1c3c([N]4=C(C=C(O[Pd]14[O]=2)C)C)cccc3 |
| Title of publication | Reactivity ofortho-β-Enaminone-phenyl Palladium Complexes. Insertion of CO into the Pd−C Bond to Give the First Acyl C,N,O-Pincer Complexes. Sequential Insertion of Dimethylacetylenedicarboxylate into the Enaminone C−H Bond and of Isocyanide into the Pd−C Bond. A New Photooxigenation/Cyclization Process† |
| Authors of publication | Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Abellán-López, Antonio; Bautista, Delia |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 21 |
| Pages of publication | 5693 |
| a | 10.4757 ± 0.0008 Å |
| b | 16.1086 ± 0.0012 Å |
| c | 24.6965 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4167.5 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F 2 d d |
| Hall space group symbol | F -2d 2 |
| Residual factor for all reflections | 0.0158 |
| Residual factor for significantly intense reflections | 0.0158 |
| Weighted residual factors for significantly intense reflections | 0.0412 |
| Weighted residual factors for all reflections included in the refinement | 0.0412 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.167 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178557 (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 4/06/65. |
4066594.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066594.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066594.cif |
| 33936 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066593, 4066594, 4066595, 4066596, 4066597, 4066598, 4066599, 4066600, 4066601 via cif-deposit CGI script. |
4066594.cif |
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