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Information card for entry 4103194
Preview
| Coordinates | 4103194.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | DCP2 |
|---|---|
| Chemical name | Tris(μ~2~-acetato)-bis(benzo[<i>h</i>]quinolato)-(μ~2~-chloro)-tripalladium(II) |
| Formula | C32 H25 Cl N2 O6 Pd3 |
| Calculated formula | C32 H25 Cl N2 O6 Pd3 |
| SMILES | [Pd]12([O]=C(C)O[Pd]3([Cl][Pd]4([n]5cccc6ccc7cccc4c7c56)[O]=C(O3)C)[O]=C(O2)C)[n]2cccc3ccc4cccc1c4c23 |
| Title of publication | Bimetallic Reductive Elimination from Dinuclear Pd(III) Complexes |
| Authors of publication | David C. Powers; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; Tobias Ritter |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2010 |
| Journal volume | 132 |
| Pages of publication | 14092 - 14103 |
| a | 10.0632 ± 0.0002 Å |
| b | 11.2475 ± 0.0002 Å |
| c | 13.923 ± 0.0002 Å |
| α | 96.989 ± 0.001° |
| β | 95.423 ± 0.001° |
| γ | 108.992 ± 0.001° |
| Cell volume | 1463.85 ± 0.05 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0479 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.0792 |
| Weighted residual factors for all reflections included in the refinement | 0.0834 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4103194.cif |
| 194623 | 2017-03-30 | cif/ (antanas@echidna.ibt.lt) Updating the _cod_depositor_comments data item value in entries 2214177, 2214701, 2216351, 2217418, 2219354, 2220598, 2222330, 2222572, 2222926, 2240120, 4103194, 4105431, 4105432, 4342184, 7023203, 7112929. |
4103194.cif |
| 194621 | 2017-03-30 | cif/ (antanas@echidna.ibt.lt) Balancing the opening and closing italics markup tags ("<i>", "</i>") in the _chemical_name_systematic data item value in entries 2214177, 2214701, 2216351, 2217418, 2219354, 2220598, 2222330, 2222572, 2222926, 2240120, 4103194, 4105431, 4105432, 4342184, 7023203, 7112929. |
4103194.cif |
| 178777 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/31. |
4103194.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4103194.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4103194.cif |
| 26152 | 2011-09-19 | ../uploads/cif-deposit/cod/cif Adding structures of 4103194 via cif-deposit CGI script. |
4103194.cif |
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Users of the data should acknowledge the original authors of the
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