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Information card for entry 4108783
Preview
| Coordinates | 4108783.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C50 H42 F6 O7 P2 Pt S2 |
|---|---|
| Calculated formula | C50 H42 F6 O7 P2 Pt S2 |
| SMILES | [Pt]1([P](c2ccccc2)(c2ccccc2)c2ccc3c(c2c2c4c(cccc4)ccc2[P]1(c1ccccc1)c1ccccc1)cccc3)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F.O(CC)CC |
| Title of publication | Mechanistic Studies of the Hydroamination of Norbornene with Electrophilic Platinum Complexes: The Role of Proton Transfer |
| Authors of publication | Jennifer L. McBee; Alexis T. Bell; T. Don Tilley |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2008 |
| Journal volume | 130 |
| Pages of publication | 16562 - 16571 |
| a | 12.5853 ± 0.0008 Å |
| b | 15.744 ± 0.001 Å |
| c | 24.1309 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4781.4 ± 0.5 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 15.3 ± 0.2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0362 |
| Residual factor for significantly intense reflections | 0.0305 |
| Weighted residual factors for significantly intense reflections | 0.062 |
| Weighted residual factors for all reflections included in the refinement | 0.0632 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4108783.cif |
| 178833 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/87. |
4108783.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4108783.cif |
| 57153 | 2012-05-17 | cif/ Adding structures of 4108783 via cif-deposit CGI script. |
4108783.cif |
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Users of the data should acknowledge the original authors of the
structural data.