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Information card for entry 4076603
Preview
| Coordinates | 4076603.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H11 Cl N2 O6 Pd |
|---|---|
| Calculated formula | C11 H11 Cl N2 O6 Pd |
| Title of publication | Synthesis and Hydrolysis of Cationic Palladium(II) 2,6-Diacetylpyridine Dimethyl Ketal Complexes. Cyclopalladation of 2,6-Diacetylpyridine. Palladium-Catalyzed Synthesis of a 1,5-Benzodiazepine† |
| Authors of publication | Juliá-Hernández, Francisco; Arcas, Aurelia; Bautista, Delia; Vicente, José |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 9 |
| Pages of publication | 3736 |
| a | 7.6698 ± 0.0004 Å |
| b | 23.7216 ± 0.0012 Å |
| c | 7.8644 ± 0.0004 Å |
| α | 90° |
| β | 104.965 ± 0.002° |
| γ | 90° |
| Cell volume | 1382.32 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0234 |
| Residual factor for significantly intense reflections | 0.0225 |
| Weighted residual factors for significantly intense reflections | 0.056 |
| Weighted residual factors for all reflections included in the refinement | 0.0565 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 4078291 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178655 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/66. |
4076603.cif |
| 131578 | 2015-02-08 | cif/4/07/ (saulius@kolibris) Updating bibliographies for structures 4076602 -- 4076618 (these appear to be duplicates, marked-up). |
4076603.cif |
| 125988 | 2014-10-30 | cif/4/07/ (saulius@kolibris) Correcting or adding duplicate marks in 18 COD entries. |
4076603.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4076603.cif |
| 52793 | 2012-04-16 | ../uploads/cif-deposit/cod/cif Adding structures of 4076602, 4076603 via cif-deposit CGI script. |
4076603.cif |
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Users of the data should acknowledge the original authors of the
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