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Information card for entry 7006298
Preview
| Coordinates | 7006298.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H45 F6 O Os P3 |
|---|---|
| Calculated formula | C39 H41 F6 O Os P3 |
| SMILES | [Os]12345([P](c6ccccc6)(c6ccccc6)CC[P]1(c1ccccc1)c1ccccc1)(=C=C)[c]1(C)[c]2(=[c]3(C)[c]4([c]51C)C)C.[P](F)(F)(F)(F)(F)[F-].CO |
| Title of publication | Syntheses, structures and redox properties of some complexes containing the Os(dppe)Cp* fragment, including [{Os(dppe)Cp*}2(mu-C triple bondCC triple bond C)]. |
| Authors of publication | Bruce, Michael I.; Costuas, Karine; Davin, Thomas; Halet, Jean-François; Kramarczuk, Kathy A.; Low, Paul J.; Nicholson, Brian K.; Perkins, Gary J.; Roberts, Rachel L.; Skelton, Brian W.; Smith, Mark E.; White, Allan H. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 46 |
| Pages of publication | 5387 - 5399 |
| a | 11.724 ± 0.001 Å |
| b | 17.36 ± 0.002 Å |
| c | 18.5 ± 0.002 Å |
| α | 90° |
| β | 103.3 ± 0.002° |
| γ | 90° |
| Cell volume | 3664.3 ± 0.7 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.069 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for all reflections | 0.04 |
| Weighted residual factors for all reflections included in the refinement | 0.035 |
| Goodness-of-fit parameter for all reflections | 0.98 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7006298.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006298.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006298.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7006298.cif |
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