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Information card for entry 4071878
Preview
| Coordinates | 4071878.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H64 B F4 N O Os P2 |
|---|---|
| Calculated formula | C40 H64 B F4 N O Os P2 |
| SMILES | [OsH2]1([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)([O]=C(C=C1c1ccccc1)c1ccccc1)c1[nH+]c(ccc1)CC.[B](F)(F)(F)[F-] |
| Title of publication | Cβ(sp2)−H Bond Activation of α,β-Unsaturated Ketones Promoted by a Hydride-Elongated Dihydrogen Complex: Formation of Osmafuran Derivatives with Carbene, Carbyne, and NH-Tautomerized α-Substituted Pyridine Ligands |
| Authors of publication | Buil, María L.; Esteruelas, Miguel A.; Garcés, Karin; Oliván, Montserrat; Oñate, Enrique |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 18 |
| Pages of publication | 4680 |
| a | 10.258 ± 0.002 Å |
| b | 14.422 ± 0.003 Å |
| c | 14.825 ± 0.003 Å |
| α | 92.738 ± 0.004° |
| β | 94.386 ± 0.004° |
| γ | 107.905 ± 0.004° |
| Cell volume | 2075 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0629 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.0955 |
| Weighted residual factors for all reflections included in the refinement | 0.1012 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178607 (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 4/07/18. |
4071878.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071878.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071878.cif |
| 44090 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071876, 4071877, 4071878 via cif-deposit CGI script. |
4071878.cif |
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