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Information card for entry 7020782
Preview
| Coordinates | 7020782.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,3-Di-tert-butyl-1H-imidazol-3-ium tetrachloropalladate |
|---|---|
| Formula | C22 H42 Cl4 N4 Pd |
| Calculated formula | C22 H42 Cl4 N4 Pd |
| SMILES | c1n(c[n+](C(C)(C)C)c1)C(C)(C)C.Cl[Pd](Cl)([Cl-])[Cl-].c1c[n+](cn1C(C)(C)C)C(C)(C)C |
| Title of publication | Haloaurate and halopalladate imidazolium salts: structures, properties, and use as precursors for catalytic metal nanoparticles. |
| Authors of publication | Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Brown, Christopher M.; Beer, Paul D. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 5 |
| Pages of publication | 1385 - 1393 |
| a | 17.3545 ± 0.0007 Å |
| b | 9.4171 ± 0.0005 Å |
| c | 10.5259 ± 0.0005 Å |
| α | 90° |
| β | 125.898 ± 0.002° |
| γ | 90° |
| Cell volume | 1393.5 ± 0.12 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0504 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for all reflections | 0.0943 |
| Weighted residual factors for significantly intense reflections | 0.0769 |
| Weighted residual factors for all reflections included in the refinement | 0.0943 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9309 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7020782.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 {}' |
7020782.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7020782.cif |
| 73669 | 2013-02-21 | cif/ Adding structures of 7020778, 7020779, 7020780, 7020781, 7020782 via cif-deposit CGI script. |
7020782.cif |
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