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Information card for entry 4066681
Preview
| Coordinates | 4066681.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H38 B N6 Os P |
|---|---|
| Calculated formula | C23 H38 B N6 Os P |
| SMILES | [OsH]12([P](C(C)C)(C(C)C)C(C)C)([n]3n([BH](n4[n]1ccc4)n1[n]2ccc1)ccc3)=C=CC(=C)C |
| Title of publication | C−H Bond Activation Reactions in π-Allene−Osmium−Triisopropylphosphine Complexes with Cyclopentadienyl or Hydridotris(pyrazolyl)borate Ligands: Formation of Isopropenyldiisopropylphosphine versus Hydride−Alkenylcarbyne Derivatives |
| Authors of publication | Castro-Rodrigo, Ruth; Esteruelas, Miguel A.; López, Ana M.; Mozo, Silvia; Oñate, Enrique |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 18 |
| Pages of publication | 4071 |
| a | 8.2181 ± 0.0015 Å |
| b | 8.7108 ± 0.0015 Å |
| c | 19.098 ± 0.004 Å |
| α | 89.467 ± 0.005° |
| β | 77.641 ± 0.003° |
| γ | 78.37 ± 0.003° |
| Cell volume | 1307.2 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0754 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.0851 |
| Weighted residual factors for all reflections included in the refinement | 0.1004 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178558 (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 4/06/66. |
4066681.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066681.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066681.cif |
| 33958 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066678, 4066679, 4066680, 4066681 via cif-deposit CGI script. |
4066681.cif |
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