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Information card for entry 4341800
Preview
| Coordinates | 4341800.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H32 Cl2 N4 Pd |
|---|---|
| Calculated formula | C22 H32 Cl2 N4 Pd |
| SMILES | [Pd]1(Cl)(Cl)[n]2c3cccc2CN(Cc2[n]1c(ccc2)CN(C3)C(C)(C)C)C(C)(C)C |
| Title of publication | The Conformational Flexibility of the Tetradentate Ligand (tBu)N4 is Essential for the Stabilization of ((tBu)N4)Pd(III) Complexes. |
| Authors of publication | Khusnutdinova, Julia R.; Rath, Nigam P.; Mirica, Liviu M. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Pages of publication | 141126065928000 |
| a | 18.9253 ± 0.0009 Å |
| b | 9.2861 ± 0.0005 Å |
| c | 12.7839 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2246.7 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0514 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0617 |
| Weighted residual factors for all reflections included in the refinement | 0.0668 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179521 (current) | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/18. |
4341800.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 {}' |
4341800.cif |
| 128223 | 2014-12-06 | cif/ Adding structures of 4341798, 4341799, 4341800, 4341801, 4341802, 4341803 via cif-deposit CGI script. |
4341800.cif |
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Users of the data should acknowledge the original authors of the
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