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Information card for entry 4064137
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| Coordinates | 4064137.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (tBuPCO)PdCl |
|---|---|
| Chemical name | (4) |
| Formula | C17 H28 Cl O P Pd |
| Calculated formula | C17 H28 Cl O P Pd |
| SMILES | [Pd]12(Cl)[P](Cc3c2c(ccc3)C[O]1C)(C(C)(C)C)C(C)(C)C |
| Title of publication | Syntheses and Characterization of Palladium Complexes with a Hemilabile “PCO” Pincer Ligand |
| Authors of publication | Fulmer, Gregory R.; Kaminsky, Werner; Kemp, Richard A.; Goldberg, Karen I. |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 6 |
| Pages of publication | 1627 |
| a | 13.9642 ± 0.0006 Å |
| b | 16.3495 ± 0.0008 Å |
| c | 8.105 ± 0.0003 Å |
| α | 90° |
| β | 102.614 ± 0.004° |
| γ | 90° |
| Cell volume | 1805.77 ± 0.14 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0425 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0792 |
| Weighted residual factors for all reflections included in the refinement | 0.0818 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178535 (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 4/06/41. |
4064137.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4064137.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064137.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064137.cif |
| 32798 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4064136, 4064137, 4064138, 4064139, 4064140, 4064141 via cif-deposit CGI script. |
4064137.cif |
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Users of the data should acknowledge the original authors of the
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