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Information card for entry 4071594
Preview
| Coordinates | 4071594.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H57 F12 N O3 P4 Ru |
|---|---|
| Calculated formula | C58 H57 F12 N O3 P4 Ru |
| SMILES | [Ru]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)(=C=C5c6[n+](c(ccc6)C)CC5CC(=O)OC)[cH]5[cH]4[cH]3[cH]2[cH]15.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O1CCCC1 |
| Title of publication | Reactions of Ruthenium Acetylide and Vinylidene Complexes Containing a 2-Pyridyl Group |
| Authors of publication | Chou, Hsien-Hsin; Lin, Ying-Chih; Huang, Shou-Ling; Liu, Yi-Hong; Wang, Yu |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 20 |
| Pages of publication | 5212 |
| a | 12.0479 ± 0.0002 Å |
| b | 15.3359 ± 0.0002 Å |
| c | 16.6007 ± 0.0003 Å |
| α | 72.371 ± 0.001° |
| β | 81.136 ± 0.001° |
| γ | 86.12 ± 0.001° |
| Cell volume | 2887.56 ± 0.08 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1124 |
| Residual factor for significantly intense reflections | 0.0755 |
| Weighted residual factors for significantly intense reflections | 0.2058 |
| Weighted residual factors for all reflections included in the refinement | 0.2487 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.955 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178604 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/15. |
4071594.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071594.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071594.cif |
| 43934 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071594 via cif-deposit CGI script. |
4071594.cif |
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Users of the data should acknowledge the original authors of the
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