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Information card for entry 7032854
Preview
| Coordinates | 7032854.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C83 H72 N2 |
|---|---|
| Calculated formula | C83 H72 N2 |
| Title of publication | Exceptionally efficient catalytic hydrodechlorination of persistent organic pollutants: application of new sterically shielded palladium carbene complexes. |
| Authors of publication | Saberov, Vagiz Sh; Evans, Daniel A.; Korotkikh, Nikolai I.; Cowley, Alan H.; Pekhtereva, Tatyana M.; Popov, Anatolii F.; Shvaika, Oles P. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 48 |
| Pages of publication | 18117 - 18122 |
| a | 20.082 ± 0.0011 Å |
| b | 12.479 ± 0.0007 Å |
| c | 25.495 ± 0.0012 Å |
| α | 90° |
| β | 95.975 ± 0.003° |
| γ | 90° |
| Cell volume | 6354.4 ± 0.6 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1128 |
| Residual factor for significantly intense reflections | 0.0668 |
| Weighted residual factors for significantly intense reflections | 0.155 |
| Weighted residual factors for all reflections included in the refinement | 0.2097 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7032854.cif |
| 180034 | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/28. |
7032854.cif |
| 128382 | 2014-12-06 | cif/ Updating files of 7032854, 7032855, 7032856 Original log message: Adding full bibliography for 7032854--7032856.cif. |
7032854.cif |
| 125577 | 2014-10-21 | cif/ Adding structures of 7032854, 7032855, 7032856 via cif-deposit CGI script. |
7032854.cif |
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Users of the data should acknowledge the original authors of the
structural data.