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Information card for entry 4072962
Preview
| Coordinates | 4072962.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H69 B F4 N2 O3 Os P2 |
|---|---|
| Calculated formula | C42 H69 B F4 N2 O3 Os P2 |
| SMILES | [Os]([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)(OC(=O)C)([N]#CC)([N]#CC)=CC=C(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].O=C(C)C |
| Title of publication | Hydride-Carbyne to Carbene Transformation in an Osmium-Acetate-Bis(triisopropylphosphine) System: Influence of the Coordination Mode of the Carboxylate and the Reaction Solvent |
| Authors of publication | Bolaño, Tamara; Castarlenas, Ricardo; Esteruelas, Miguel A.; Oñate, Enrique |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 8 |
| Pages of publication | 2037 |
| a | 20.354 ± 0.002 Å |
| b | 9.5203 ± 0.0011 Å |
| c | 23.038 ± 0.003 Å |
| α | 90° |
| β | 93.378 ± 0.002° |
| γ | 90° |
| Cell volume | 4456.5 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.0445 |
| Residual factor for significantly intense reflections | 0.0272 |
| Weighted residual factors for significantly intense reflections | 0.0428 |
| Weighted residual factors for all reflections included in the refinement | 0.0448 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.781 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178618 (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 4/07/29. |
4072962.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4072962.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072962.cif |
| 46086 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4072961, 4072962 via cif-deposit CGI script. |
4072962.cif |
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Users of the data should acknowledge the original authors of the
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