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Information card for entry 4071404
Preview
| Coordinates | 4071404.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H28 Cl3 N Os2 |
|---|---|
| Calculated formula | C18 H28 Cl3 N Os2 |
| SMILES | [Os]12345([Cl][Os]678([H]1)([Cl]2)([N]#CC)[CH]1=[CH]7CC[CH]8=[CH]6CC1)(Cl)[CH]1=[CH]4CC[CH]5=[CH]3CC1 |
| Title of publication | [H(EtOH)2][{OsCl(η4-COD)}2(μ-H)(μ-Cl)2] as an Intermediate for the Preparation of [OsCl2(COD)]xand Its Activity as an Ionic Hydrogenation and Etherification Catalyst |
| Authors of publication | Esteruelas, Miguel A.; García-Yebra, Cristina; Oñate, Enrique |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 13 |
| Pages of publication | 3029 |
| a | 15.4555 ± 0.0011 Å |
| b | 9.2944 ± 0.0007 Å |
| c | 13.939 ± 0.001 Å |
| α | 90° |
| β | 100.518 ± 0.001° |
| γ | 90° |
| Cell volume | 1968.7 ± 0.2 Å3 |
| Cell temperature | 105 ± 0.2 K |
| Ambient diffraction temperature | 105 ± 0.2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0441 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.0764 |
| Weighted residual factors for all reflections included in the refinement | 0.0796 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178603 (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 4/07/14. |
4071404.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071404.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071404.cif |
| 43816 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071404 via cif-deposit CGI script. |
4071404.cif |
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Users of the data should acknowledge the original authors of the
structural data.