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Information card for entry 4065887
Preview
| Coordinates | 4065887.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Rh2(dippe)2(m-Cl)(m-SC12H9)] (7) |
|---|---|
| Formula | C40 H73 Cl P4 Rh2 S |
| Calculated formula | C40 H73 Cl P4 Rh2 S |
| SMILES | [Rh]12([Cl][Rh]3([P](C(C)C)(C(C)C)CC[P]3(C(C)C)C(C)C)[S]1c1ccccc1c1ccccc1)[P](C(C)C)(C(C)C)CC[P]2(C(C)C)C(C)C |
| Title of publication | Carbon−Sulfur Bond Activation of Dibenzothiophenes and Phenoxythiin by [Rh(dippe)(μ-H)]2and [Rh2(dippe)2(μ-Cl)(μ-H)]† |
| Authors of publication | Oster, Stephen S.; Grochowski, Matthew R.; Lachicotte, Rene J.; Brennessel, William W.; Jones, William D. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 21 |
| Pages of publication | 4923 |
| a | 10.6487 ± 0.0005 Å |
| b | 16.7577 ± 0.0008 Å |
| c | 25.3727 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4527.7 ± 0.4 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0453 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.0933 |
| Weighted residual factors for all reflections included in the refinement | 0.0965 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.869 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178551 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/58. |
4065887.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065887.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065887.cif |
| 33718 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4065882, 4065883, 4065884, 4065885, 4065886, 4065887 via cif-deposit CGI script. |
4065887.cif |
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