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Information card for entry 7027757
Preview
| Coordinates | 7027757.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C43 H44 Cl2 O2 P2 Pd S |
|---|---|
| Calculated formula | C43 H44 Cl2 O2 P2 Pd S |
| SMILES | [Pd]([P](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)([P](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)[S](=O)=O.C(Cl)Cl |
| Title of publication | Reactivity of the palladium dimer [Pd2(μ-SO2)(μ-dba)(PBz3)2]. Syntheses and structural characterisation of [Pd3(μ-SO2)3(PBz3)3], [Pd2(μ-SO2)(μ-dppm)(PBz3)2], [Pd(SO2)(PBz3)2], [Pd3(μ-CO)2(μ-SO2)(PBz3)3] and [Pd3(μ-SO2)2(CNBut )2(PBz3)3] (Bz = benzyl) † |
| Authors of publication | Arifhodzic-Radojevic, Sanja; Burrows, Andrew D.; Choi, Nick; McPartlin, Mary; Mingos, D. Michael P.; Tarlton, Stephen V.; Vilar, Ramón |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 1999 |
| Journal issue | 22 |
| Pages of publication | 3981 |
| a | 9.931 ± 0.003 Å |
| b | 11.331 ± 0.002 Å |
| c | 19.275 ± 0.004 Å |
| α | 84.427 ± 0.012° |
| β | 87.305 ± 0.016° |
| γ | 64.216 ± 0.014° |
| Cell volume | 1943.8 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1098 |
| Residual factor for significantly intense reflections | 0.087 |
| Weighted residual factors for significantly intense reflections | 0.2234 |
| Weighted residual factors for all reflections included in the refinement | 0.2344 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.249 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7027757.cif |
| 179983 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/77. |
7027757.cif |
| 95738 | 2014-01-28 | cif/ Adding structures of 7027755, 7027756, 7027757, 7027758 via cif-deposit CGI script. |
7027757.cif |
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