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Information card for entry 4074676
Preview
| Coordinates | 4074676.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H26 Br2 N4 Pd |
|---|---|
| Calculated formula | C14 H26 Br2 N4 Pd |
| SMILES | Br[Pd]1(=C(NC2CCCCC2)NNC=1NC1CCCCC1)Br |
| Title of publication | Modular Chelated Palladium Diaminocarbene Complexes: Synthesis, Characterization, and Optimization of Catalytic Suzuki−Miyaura Cross-Coupling Activity by Ligand Modification |
| Authors of publication | Moncada, Adriana I.; Manne, Sudhakar; Tanski, Joseph M.; Slaughter, LeGrande M. |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 2 |
| Pages of publication | 491 |
| a | 26.292 ± 0.0012 Å |
| b | 7.6568 ± 0.0003 Å |
| c | 9.6383 ± 0.0004 Å |
| α | 90° |
| β | 107.61 ± 0.003° |
| γ | 90° |
| Cell volume | 1849.38 ± 0.14 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0476 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.0878 |
| Weighted residual factors for all reflections included in the refinement | 0.0894 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.234 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178635 (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 4/07/46. |
4074676.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4074676.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4074676.cif |
| 48649 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4074674, 4074675, 4074676, 4074677, 4074678 via cif-deposit CGI script. |
4074676.cif |
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Users of the data should acknowledge the original authors of the
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