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Information card for entry 4070168
Preview
| Coordinates | 4070168.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H33 F6 N Os P2 |
|---|---|
| Calculated formula | C21 H33 F6 N Os P2 |
| SMILES | [OsH]12345([P](C(C)C)(C(C)C)C(C)C)([n]6c(C=C1)cccc6)[cH]1[cH]5[cH]4[cH]3[cH]21.[P](F)(F)(F)(F)(F)[F-] |
| 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 | 8.5295 ± 0.0011 Å |
| b | 19.393 ± 0.003 Å |
| c | 14.2301 ± 0.0019 Å |
| α | 90° |
| β | 90.136 ± 0.002° |
| γ | 90° |
| Cell volume | 2353.8 ± 0.6 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 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 | 0.0712 |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for significantly intense reflections | 0.105 |
| Weighted residual factors for all reflections included in the refinement | 0.11 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.161 |
| 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. |
4070168.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4070168.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070168.cif |
| 40615 | 2012-03-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4070166, 4070167, 4070168 via cif-deposit CGI script. |
4070168.cif |
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