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Information card for entry 4067248
Preview
| Coordinates | 4067248.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C61 H52 P2 Ru |
|---|---|
| Calculated formula | C61 H52 P2 Ru |
| SMILES | [Ru]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)(C#CC(C(=C=C)CC)(c5ccccc5)c5ccccc5)[cH]5[cH]1[cH]2[cH]3[cH]45 |
| Title of publication | Cyclization Accompanied with 1,2-Phenyl Migration in the Protonation of Ruthenium Acetylide Complex Containing an Allenyl Group |
| Authors of publication | Chen, Kuo-Hao; Feng, Yi Jhen; Ma, Hao-Wei; Lin, Ying-Chih; Liu, Yi-Hong; Kuo, Ting-Shen |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 24 |
| Pages of publication | 6829 |
| a | 12.3345 ± 0.0003 Å |
| b | 13.554 ± 0.0004 Å |
| c | 14.9441 ± 0.0004 Å |
| α | 89.075 ± 0.002° |
| β | 88.904 ± 0.002° |
| γ | 69.814 ± 0.002° |
| Cell volume | 2344.37 ± 0.11 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0459 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.0688 |
| Weighted residual factors for all reflections included in the refinement | 0.0718 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.924 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178563 (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 4/06/72. |
4067248.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067248.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067248.cif |
| 34132 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067248, 4067249, 4067250 via cif-deposit CGI script. |
4067248.cif |
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