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Information card for entry 4340825
Preview
| Coordinates | 4340825.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Bis(1,2-bis(4-methoxyphenyl)ethen-1,2-dithiolato) platinum(II) 1,2-dichloroethane solvate |
|---|---|
| Formula | C34 H32 Cl2 O4 Pt S4 |
| Calculated formula | C34 H32 Cl2 O4 Pt S4 |
| SMILES | [Pt]12(SC(=C(S1)c1ccc(OC)cc1)c1ccc(OC)cc1)SC(=C(S2)c1ccc(OC)cc1)c1ccc(OC)cc1.C(CCl)Cl |
| 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 | 9.14 ± 0.006 Å |
| b | 12.279 ± 0.008 Å |
| c | 17.818 ± 0.012 Å |
| α | 109.932 ± 0.009° |
| β | 95.95 ± 0.01° |
| γ | 109.328 ± 0.008° |
| Cell volume | 1720 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.071 |
| Residual factor for significantly intense reflections | 0.0562 |
| Weighted residual factors for significantly intense reflections | 0.1384 |
| Weighted residual factors for all reflections included in the refinement | 0.1438 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| 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. |
4340825.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. |
4340825.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. |
4340825.cif |
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Users of the data should acknowledge the original authors of the
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