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Information card for entry 4071485
Preview
| Coordinates | 4071485.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H51 Cl N2 Os |
|---|---|
| Calculated formula | C37 H51 Cl N2 Os |
| SMILES | [OsH]12345(Cl)(=C6N(C=CN6c6c(C(C)C)cccc6C(C)C)c6c(C(C)C)cccc6C(C)C)[c]6(C(C)C)[cH]1[cH]2[c]3(C)[cH]4[cH]56 |
| Title of publication | Preparation, X-ray Structure, and Reactivity of an Osmium-Hydroxo Complex Stabilized by an N-Heterocyclic Carbene Ligand: A Base-Free Catalytic Precursor for Hydrogen Transfer from 2-Propanol to Aldehydes |
| Authors of publication | Castarlenas, Ricardo; Esteruelas, Miguel A.; Oñate, Enrique |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 13 |
| Pages of publication | 3240 |
| a | 16.127 ± 0.003 Å |
| b | 12.312 ± 0.003 Å |
| c | 18.753 ± 0.004 Å |
| α | 90° |
| β | 114.684 ± 0.005° |
| γ | 90° |
| Cell volume | 3383.3 ± 1.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0949 |
| Residual factor for significantly intense reflections | 0.063 |
| Weighted residual factors for significantly intense reflections | 0.1068 |
| Weighted residual factors for all reflections included in the refinement | 0.1157 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| 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. |
4071485.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071485.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071485.cif |
| 43860 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071484, 4071485 via cif-deposit CGI script. |
4071485.cif |
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