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Information card for entry 7027550
Preview
| Coordinates | 7027550.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C104 H96 Cl2 O8 P8 Pt4 S4 Zn |
|---|---|
| Calculated formula | C104 H96 Cl2 O8 P8 Pt4 S4 Zn |
| SMILES | c1(ccccc1)[P]1(c2ccccc2)CC[P](c2ccccc2)(c2ccccc2)[Pt]21[S]1[Zn]3([S]4[Pt]5([P](c6ccccc6)(c6ccccc6)CC[P]5(c5ccccc5)c5ccccc5)[S]3[Pt]34[P](c4ccccc4)(c4ccccc4)CC[P]3(c3ccccc3)c3ccccc3)[S]2[Pt]21[P](c1ccccc1)(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
| Title of publication | Extending knowledge on the nucleophilicity of the {Pt2S2} core: Ph2PCH2CH2PPh2 as an alternative terminal ligand in [L2Pt(μ-S)2PtL2] metalloligands † |
| Authors of publication | Capdevila, Mercè; Carrasco, Yolanda; Clegg, William; Coxall, Robert A.; González-Duarte, Pilar; Lledós, Agustí; Antonio Ramírez, José; Ramírez, Antonio |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 1999 |
| Journal issue | 17 |
| Pages of publication | 3103 |
| a | 13.649 ± 0.008 Å |
| b | 33.654 ± 0.019 Å |
| c | 23.209 ± 0.012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10661 ± 10 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 20 |
| Hermann-Mauguin space group symbol | C 2 2 21 |
| Hall space group symbol | C 2c 2 |
| Residual factor for all reflections | 0.1239 |
| Residual factor for significantly intense reflections | 0.1052 |
| Weighted residual factors for significantly intense reflections | 0.2223 |
| Weighted residual factors for all reflections included in the refinement | 0.2295 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.219 |
| Diffraction radiation wavelength | 0.6865 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179981 (current) | 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 7/02/75. |
7027550.cif |
| 95463 | 2014-01-28 | cif/ Adding structures of 7027548, 7027549, 7027550, 7027551, 7027552, 7027553 via cif-deposit CGI script. |
7027550.cif |
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Users of the data should acknowledge the original authors of the
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