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Information card for entry 4085838
Preview
| Coordinates | 4085838.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H52 N2 Os P2 |
|---|---|
| Calculated formula | C27 H52 N2 Os P2 |
| SMILES | [OsH3]1([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)[n]2c([nH]cc2)c2c1cccc2 |
| Title of publication | Azole Assisted C‒H Bond Activation Promoted by an Osmium-Polyhydride: Discerning between N and NH |
| Authors of publication | Eguillor, Beatriz; Esteruelas, Miguel A.; Fernández, Israel; Gómez-Gallego, Mar; Lledós, Agustí; Martín-Ortiz, Mamen; Oliván, Montserrat; Oñate, Enrique; Sierra, Miguel A. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 10 |
| Pages of publication | 1898 |
| a | 17.5141 ± 0.0007 Å |
| b | 14.3683 ± 0.0006 Å |
| c | 23.0704 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5805.6 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0308 |
| Residual factor for significantly intense reflections | 0.0202 |
| Weighted residual factors for significantly intense reflections | 0.0423 |
| Weighted residual factors for all reflections included in the refinement | 0.0441 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.928 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4085838.cif |
| 140189 | 2015-07-05 | cif/ Updating files of 4085838, 4085839, 4085840, 4085841 Original log message: Adding full bibliography for 4085838--4085841.cif. |
4085838.cif |
| 136845 | 2015-05-18 | cif/ Adding structures of 4085838, 4085839, 4085840, 4085841 via cif-deposit CGI script. |
4085838.cif |
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Users of the data should acknowledge the original authors of the
structural data.