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Information card for entry 4082949
Preview
| Coordinates | 4082949.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H21 B Cl F N6 Os |
|---|---|
| Calculated formula | C19 H21 B Cl F N6 Os |
| SMILES | [Os]1234([n]5n([BH](n6[n]1ccc6)n1[n]2ccc1)ccc5)(c1cc(Cl)cc(F)c1)([CH2]=[CH2]3)[CH2]=[CH2]4 |
| Title of publication | Selectivemeta-C‒H Bond Activation of Substituted 1,3-Chlorobenzenes Promoted by an Osmium Pyridyl Complex |
| Authors of publication | Bajo, Sonia; Esteruelas, Miguel A.; López, Ana M.; Oñate, Enrique |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 7 |
| Pages of publication | 1851 |
| a | 10.5697 ± 0.0005 Å |
| b | 12.2481 ± 0.0006 Å |
| c | 15.7824 ± 0.0008 Å |
| α | 90° |
| β | 98.157 ± 0.001° |
| γ | 90° |
| Cell volume | 2022.5 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0312 |
| Residual factor for significantly intense reflections | 0.0275 |
| Weighted residual factors for significantly intense reflections | 0.0527 |
| Weighted residual factors for all reflections included in the refinement | 0.0539 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.195 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178718 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/29. |
4082949.cif |
| 109800 | 2014-04-17 | cif/ Updating files of 4082949 Original log message: Adding full bibliography for 4082949.cif. |
4082949.cif |
| 109780 | 2014-04-17 | cif/ (saulius@koala.ibt.lt) Restoring in bulk the COD CIFs that had their bibliographies update recently: svn merge -r109779:109651 . The problem was that: a) the COD deposition pipeline incorrectly folded some text fields; b) it removed last page number from some CIFs that had it before. An attempt to updated bibliographies will be repeated with corrected scripts. |
4082949.cif |
| 109671 | 2014-04-17 | cif/ Updating files of 4082949 Original log message: Adding full bibliography for ./tmp-cod-update-bibliographies-28993/cifs/4082949.cif. |
4082949.cif |
| 108955 | 2014-04-05 | cif/ Adding structures of 4082948, 4082949 via cif-deposit CGI script. |
4082949.cif |
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