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Information card for entry 4066002
Preview
| Coordinates | 4066002.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H37 F6 N Os P2 |
|---|---|
| Calculated formula | C24 H37 F6 N Os P2 |
| SMILES | [Os]123456([P](C(C)C)(C(C)C)C(C)C)([n]7ccccc7C[C]71=[CH]2CC7)[cH]1[cH]6[cH]5[cH]4[cH]31.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Ring Expansion versusexo−endoIsomerization in (2-Pyridyl)methylenecyclobutane Coordinated to Hydrido(trispyrazolyl)borate- and Cyclopentadienyl-Osmium Complexes |
| Authors of publication | Castro-Rodrigo, Ruth; Esteruelas, Miguel A.; López, Ana M.; López, Fernando; Mascareñas, José L.; Mozo, Silvia; Oñate, Enrique; Saya, Lucía |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 10 |
| Pages of publication | 2372 |
| a | 11.5346 ± 0.0015 Å |
| b | 16.098 ± 0.002 Å |
| c | 13.7695 ± 0.0017 Å |
| α | 90° |
| β | 96.538 ± 0.002° |
| γ | 90° |
| Cell volume | 2540.1 ± 0.6 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0676 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.0796 |
| Weighted residual factors for all reflections included in the refinement | 0.085 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.121 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178504 (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 4/06/60. |
4066002.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066002.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066002.cif |
| 33747 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4065999, 4066000, 4066001, 4066002 via cif-deposit CGI script. |
4066002.cif |
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Users of the data should acknowledge the original authors of the
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