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Information card for entry 4110353
Preview
| Coordinates | 4110353.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | trans-Pt2-complex |
|---|---|
| Chemical name | trans-Pt2-complex |
| Formula | C22 H20 N4 O8 Pt2 S2 |
| Calculated formula | C22 H20 N4 O8 Pt2 S2 |
| SMILES | c1cccc2C(c3cccc[n]3[Pt]3([n]12)[OH][Pt]1([n]2ccccc2C(c2cccc[n]12)S(=O)(=O)[O-])[OH]3)S(=O)(=O)[O-] |
| Title of publication | Stoichiometric Aerobic PtII-Me Bond Cleavage in Aqueous Solutions to Produce Methanol and a PtII(OH) Complex |
| Authors of publication | Andrei N. Vedernikov; Seth A. Binfield; Peter Y. Zavalij; Julia R. Khusnutdinova |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2006 |
| Journal volume | 128 |
| Pages of publication | 82 - 83 |
| a | 8.169 ± 0.003 Å |
| b | 13.873 ± 0.005 Å |
| c | 10.637 ± 0.004 Å |
| α | 90° |
| β | 94.767 ± 0.007° |
| γ | 90° |
| Cell volume | 1201.3 ± 0.8 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0357 |
| Residual factor for significantly intense reflections | 0.0289 |
| Weighted residual factors for significantly intense reflections | 0.0649 |
| Weighted residual factors for all reflections included in the refinement | 0.0699 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301833 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
4110353.cif |
| 178874 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/03. |
4110353.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110353.cif |
| 59149 | 2012-06-04 | cif/ Adding structures of 4110353 via cif-deposit CGI script. |
4110353.cif |
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Users of the data should acknowledge the original authors of the
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