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Information card for entry 7032855
Preview
| Coordinates | 7032855.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H72 I4 N4 Pd2 |
|---|---|
| Calculated formula | C54 H72 I4 N4 Pd2 |
| SMILES | C1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=[Pd]1(I)[I][Pd](=C2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)([I]1)I |
| 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 | 16.259 ± 0.0003 Å |
| b | 17.119 ± 0.0004 Å |
| c | 21.246 ± 0.0003 Å |
| α | 81.49 ± 0.004° |
| β | 75.16 ± 0.004° |
| γ | 89.228 ± 0.004° |
| Cell volume | 5651.5 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0517 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.0919 |
| Weighted residual factors for all reflections included in the refinement | 0.1023 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180034 (current) | 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. |
7032855.cif |
| 128382 | 2014-12-06 | cif/ Updating files of 7032854, 7032855, 7032856 Original log message: Adding full bibliography for 7032854--7032856.cif. |
7032855.cif |
| 125577 | 2014-10-21 | cif/ Adding structures of 7032854, 7032855, 7032856 via cif-deposit CGI script. |
7032855.cif |
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