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Information card for entry 7021285
Preview
| Coordinates | 7021285.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H15 Br2 N7 Pd |
|---|---|
| Calculated formula | C13 H15 Br2 N7 Pd |
| SMILES | [Pd]12(Br)[n]3c(CN4C=1N(N=C4)C)cccc3CN1C=2N(N=C1)C.[Br-] |
| Title of publication | Pincer-type di(1,2,4-triazolin-5-ylidene)Pd(ii) complexes and their catalytic activities towards Cu- and amine-free Sonogashira reaction. |
| Authors of publication | Huynh, Han Vinh; Lee, Chen-Shiang |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 19 |
| Pages of publication | 6803 - 6809 |
| a | 8.1277 ± 0.001 Å |
| b | 12.839 ± 0.0017 Å |
| c | 15.837 ± 0.002 Å |
| α | 90° |
| β | 101.113 ± 0.003° |
| γ | 90° |
| Cell volume | 1621.6 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0398 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0869 |
| Weighted residual factors for all reflections included in the refinement | 0.0894 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179917 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/12. |
7021285.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 {}' |
7021285.cif |
| 86165 | 2013-05-09 | cif/ Adding structures of 7021284, 7021285 via cif-deposit CGI script. |
7021285.cif |
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