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Information card for entry 4344226
Preview
| Coordinates | 4344226.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C250 H236 F12 O14 P16 Pd8 S12 |
|---|---|
| Calculated formula | C250 H236 F12 O14 P16 Pd8 S12 |
| SMILES | C1C[P]([Pd]2([P]1(c1ccccc1)c1ccccc1)[S]1Cc3ccc(cc3)C[S]3[Pd]4([P](CC[P]4(c4ccccc4)c4ccccc4)(c4ccccc4)c4ccccc4)[S](Cc4ccc(cc4)C[S]4[Pd]5([P](CC[P]5(c5ccccc5)c5ccccc5)(c5ccccc5)c5ccccc5)[S](Cc5ccc(cc5)C[S]5[Pd]6([P](CC[P]6(c6ccccc6)c6ccccc6)(c6ccccc6)c6ccccc6)[S](Cc6ccc(cc6)C[S]2[Pd]21[P](CC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Pd]15[P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Pd]14[P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Pd]13[P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(=O)(C)C.[O-]S(=O)(=O)C(F)(F)F.S(=O)(=O)(C(F)(F)F)[O-].C(=O)(C)C.C(F)(F)(F)S(=O)(=O)[O-].S(=O)(=O)(C(F)(F)F)[O-] |
| Title of publication | Supramolecular Macrocyclic Pd(II) and Pt(II) Squares and Rectangles with Aryldithiolate Ligands and their Excellent Catalytic Activity in Suzuki C-C Coupling Reaction. |
| Authors of publication | Vivekananda, K. V.; Dey, S.; Maity, D. K.; Bhuvanesh, N.; Jain, V. K. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 21 |
| Pages of publication | 10153 - 10162 |
| a | 17.2155 ± 0.0016 Å |
| b | 21.975 ± 0.002 Å |
| c | 22.457 ± 0.002 Å |
| α | 61.808 ± 0.001° |
| β | 71.33 ± 0.001° |
| γ | 68.64 ± 0.001° |
| Cell volume | 6859.2 ± 1.1 Å3 |
| Cell temperature | 110.15 K |
| Ambient diffraction temperature | 110.15 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 | 0.0724 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.1143 |
| Weighted residual factors for all reflections included in the refinement | 0.1256 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4344226.cif |
| 170056 | 2015-11-06 | cif/ Updating files of 4344224, 4344225, 4344226 Original log message: Adding full bibliography for 4344224--4344226.cif. |
4344226.cif |
| 161100 | 2015-10-09 | cif/ Adding structures of 4344224, 4344225, 4344226 via cif-deposit CGI script. |
4344226.cif |
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Users of the data should acknowledge the original authors of the
structural data.