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Information card for entry 4340833
Preview
| Coordinates | 4340833.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H42 P2 Pd2 S4 |
|---|---|
| Calculated formula | C44 H42 P2 Pd2 S4 |
| SMILES | [Pd]12([S](C(=C(S1)C)C)[Pd]3(SC(=C([S]23)C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | A Structural and Spectroscopic Investigation of Octahedral Platinum Bis(dithiolene)phosphine Complexes: Platinum Dithiolene Internal Redox Chemistry Induced by Phosphine Association. |
| Authors of publication | Chandrasekaran, P.; Greene, Angelique F.; Lillich, Karen; Capone, Stephen; Mague, Joel T.; DeBeer, Serena; Donahue, James P. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 17 |
| Pages of publication | 9192 - 9205 |
| a | 9.8658 ± 0.0003 Å |
| b | 10.4704 ± 0.0003 Å |
| c | 21.2026 ± 0.0007 Å |
| α | 85.809 ± 0.001° |
| β | 83.237 ± 0.001° |
| γ | 68.47 ± 0.001° |
| Cell volume | 2022.15 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0234 |
| Residual factor for significantly intense reflections | 0.0208 |
| Weighted residual factors for significantly intense reflections | 0.0509 |
| Weighted residual factors for all reflections included in the refinement | 0.0524 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179511 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/08. |
4340833.cif |
| 122977 | 2014-09-06 | cif/ Updating files of 4340821, 4340822, 4340823, 4340824, 4340825, 4340826, 4340827, 4340828, 4340829, 4340830, 4340831, 4340832, 4340833 Original log message: Adding full bibliography for 4340821--4340833.cif. |
4340833.cif |
| 122057 | 2014-08-18 | cif/ Adding structures of 4340821, 4340822, 4340823, 4340824, 4340825, 4340826, 4340827, 4340828, 4340829, 4340830, 4340831, 4340832, 4340833 via cif-deposit CGI script. |
4340833.cif |
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Users of the data should acknowledge the original authors of the
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