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Information card for entry 4069166
Preview
| Coordinates | 4069166.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H58 Co F6 O P3 Ru |
|---|---|
| Calculated formula | C56 H58 Co F6 O P3 Ru |
| SMILES | [Ru]12345([P]([c]67[cH]8[Co]9%10%11%12%13%146([cH]7[cH]9[cH]8%10)[c]6([P]1(c1ccccc1)c1ccccc1)[cH]%11[cH]%12[cH]%13[cH]%146)(c1ccccc1)c1ccccc1)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)C#Cc1ccccc1.[P](F)(F)(F)(F)(F)[F-].O(CC)CC |
| Title of publication | Synthesis, Electrochemistry, and Reactivity of Half-Sandwich Ruthenium Complexes Bearing Metallocene-Based Bisphosphines |
| Authors of publication | Shaw, Anthony P.; Norton, Jack R.; Buccella, Daniela; Sites, Lauren A.; Kleinbach, Shannon S.; Jarem, Daniel A.; Bocage, Katherine M.; Nataro, Chip |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 13 |
| Pages of publication | 3804 |
| a | 15.8294 ± 0.0019 Å |
| b | 15.4514 ± 0.0018 Å |
| c | 20.606 ± 0.002 Å |
| α | 90° |
| β | 92.002 ± 0.002° |
| γ | 90° |
| Cell volume | 5036.9 ± 1 Å3 |
| Cell temperature | 125 ± 2 K |
| Ambient diffraction temperature | 125 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1218 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.1016 |
| Weighted residual factors for all reflections included in the refinement | 0.1331 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178580 (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 4/06/91. |
4069166.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069166.cif |
| 40159 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069166 via cif-deposit CGI script. |
4069166.cif |
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Users of the data should acknowledge the original authors of the
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