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Information card for entry 4342850
Preview
| Coordinates | 4342850.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H36 B2 Cl4 F8 N2 O Pd S |
|---|---|
| Calculated formula | C29 H36 B2 Cl4 F8 N2 O Pd S |
| SMILES | [Pd]123[S](c4ccccc4[N]3=c3c(=[O]1)c(C(C)(C)C)cc(C(C)(C)C)c3)CCc1[n]2cccc1.ClCCl.ClCCl.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-] |
| Title of publication | Palladium(II) Complex of a Redox-Active Amidophenolate-Based O,N,S,N Ligand: Its Monocation and Dication and Reactivity with PPh3. |
| Authors of publication | Ali, Akram; Barman, Suman K.; Mukherjee, Rabindranath |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 11 |
| Pages of publication | 5182 - 5194 |
| a | 9.3607 ± 0.0006 Å |
| b | 9.9356 ± 0.0007 Å |
| c | 20.6551 ± 0.0013 Å |
| α | 103.51 ± 0.001° |
| β | 101.039 ± 0.001° |
| γ | 94.595 ± 0.001° |
| Cell volume | 1817.5 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0678 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.1295 |
| Weighted residual factors for all reflections included in the refinement | 0.1601 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
4342850.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4342850.cif |
| 138164 | 2015-06-05 | cif/ Updating files of 4342848, 4342849, 4342850, 4342851 Original log message: Adding full bibliography for 4342848--4342851.cif. |
4342850.cif |
| 136528 | 2015-05-15 | cif/ Adding structures of 4342848, 4342849, 4342850, 4342851 via cif-deposit CGI script. |
4342850.cif |
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Users of the data should acknowledge the original authors of the
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