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Information card for entry 4070167
Preview
| Coordinates | 4070167.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H37 B N7 Os P |
|---|---|
| Calculated formula | C25 H37 B N7 Os P |
| SMILES | [Os]123([P](C(C)C)(C(C)C)C(C)C)([n]4c(C=C3)cccc4)[n]3n([BH](n4[n]1ccc4)n1[n]2ccc1)ccc3 |
| Title of publication | Olefin−Alkylidene Equilibrium of 2-Vinylpyridine in Osmium- and Ruthenium-Hydrido-Tris(pyrazolyl)borate and Osmium-Cyclopentadienyl Complexes |
| Authors of publication | Castro-Rodrigo, Ruth; Esteruelas, Miguel A.; Fuertes, Sara; López, Ana M.; Mozo, Silvia; Oñate, Enrique |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 20 |
| Pages of publication | 5941 |
| a | 17.238 ± 0.003 Å |
| b | 8.1641 ± 0.0012 Å |
| c | 18.767 ± 0.003 Å |
| α | 90° |
| β | 91.06 ± 0.003° |
| γ | 90° |
| Cell volume | 2640.7 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0684 |
| Residual factor for significantly intense reflections | 0.0458 |
| Weighted residual factors for significantly intense reflections | 0.0747 |
| Weighted residual factors for all reflections included in the refinement | 0.0822 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178590 (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 4/07/01. |
4070167.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4070167.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070167.cif |
| 40615 | 2012-03-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4070166, 4070167, 4070168 via cif-deposit CGI script. |
4070167.cif |
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Users of the data should acknowledge the original authors of the
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