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Information card for entry 4322366
Preview
| Coordinates | 4322366.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H31 Cl N6 O4 Pd S2 |
|---|---|
| Calculated formula | C21 H31 Cl N6 O4 Pd S2 |
| Title of publication | Palladium(II)-Induced Activation of Carbon-Nitrogen Single Bond of Coordinated N4S Ligand. Characterization of Product with Modified Ligand Structure: Kinetics versus Thermodynamic Considerations |
| Authors of publication | Sudeep Bhattacharyya; Timothy J. R. Weakley; Muktimoy Chaudhury |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 1999 |
| Journal volume | 38 |
| Pages of publication | 5453 - 5456 |
| a | 8.8449 ± 0.0005 Å |
| b | 11.2219 ± 0.0008 Å |
| c | 14.466 ± 0.001 Å |
| α | 96.818 ± 0.007° |
| β | 107.694 ± 0.007° |
| γ | 104.52 ± 0.006° |
| Cell volume | 1294.32 ± 0.17 Å3 |
| Cell temperature | 293.2 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for significantly intense reflections | 0.038 |
| Goodness-of-fit parameter for significantly intense reflections | 2.38 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4322366.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 {}' |
4322366.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4322366.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4322366.cif |
| 20637 | 2011-06-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4322366 via cif-deposit CGI script. |
4322366.cif |
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