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Information card for entry 7002694
Preview
| Coordinates | 7002694.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H25 Cl N O4 P Pd |
|---|---|
| Calculated formula | C28 H25 Cl N O4 P Pd |
| SMILES | [Pd]1(C(C(=O)OC)=C(C)C(=O)OC)(Cl)[P](c2cccc3ccc[n]1c23)(c1ccccc1)c1ccccc1 |
| Title of publication | Substitution reactions between bis-chelate ligands in palladium(ii) alkenyl complexes: an unusual way to form unstable trans-P complexes. A study on the isomerization mechanism |
| Authors of publication | Canovese, Luciano; Visentin, Fabiano; Chessa, Gavino; Santo, Claudio; Dolmella, Alessandro |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 43 |
| Pages of publication | 9475 - 9485 |
| a | 9.279 ± 0.002 Å |
| b | 17.499 ± 0.004 Å |
| c | 16.897 ± 0.003 Å |
| α | 90° |
| β | 104.62 ± 0.03° |
| γ | 90° |
| Cell volume | 2654.8 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.06 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.115 |
| Weighted residual factors for all reflections included in the refinement | 0.1244 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.317 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoK\α |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209619 (current) | 2018-08-12 | cif/7/ Updating bibliography in entries 7002694, 7030620. Marking entry 7030620 as a duplicate of entry 7002694. |
7002694.cif |
| 179730 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/26. |
7002694.cif |
| 120435 | 2014-07-15 | cif/ (saulius@koala.ibt.lt) Restoring full bibliographies for the 310 COD entries with recently added DOIs (DOIs were generated automatically from the source file names). Mnay (most? all?) of these entries will probably be duplicates of later added ones, so this needs to be checked extra. |
7002694.cif |
| 120433 | 2014-07-15 | cif/ (saulius@koala.ibt.lt) Correcting bibliographies and inserting DOIs for 310 COD entries that had bibliographies wrong, apparently because of the bug in the COD depositions system of the time when they were deposited (the bug is fixed since then; the buggy deposition system would take bibliographies from the previous deposited entry if the bibliography for a new entry wa missing). The DOIs for these entries were restored by synthesising them from the source file names. |
7002694.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7002694.cif |
| 31984 | 2012-01-04 | cif/ Changing data item '_diffrn_standards_decay_% negligible' to '_diffrn_standards_decay_% 0'. |
7002694.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
7002694.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7002694.cif |
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