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Information card for entry 4085144
Preview
| Coordinates | 4085144.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H27 B F4 I2 Ir N5 O2 |
|---|---|
| Calculated formula | C25 H27 B F4 I2 Ir N5 O2 |
| SMILES | [Ir]12(I)(I)(=C3N(C=CN3CC[O]1c1ccccc1)CN1C=2N(C=C1)CCOc1ccccc1)[N]#CC.[B](F)(F)(F)[F-] |
| Title of publication | Hydrolysis and Methanolysis of Silanes Catalyzed by Iridium(III) Bis-N-Heterocyclic Carbene Complexes: Influence of the Wingtip Groups |
| Authors of publication | Aliaga-Lavrijsen, Mélanie; Iglesias, Manuel; Cebollada, Andrea; Garcés, Karin; Garc\?ía, Nestor; Sanz Miguel, Pablo J.; Fernández-Alvarez, Francisco J.; Pérez-Torrente, Jesús J.; Oro, Luis A. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 11 |
| Pages of publication | 2378 |
| a | 15.841 ± 0.012 Å |
| b | 12.668 ± 0.009 Å |
| c | 16.196 ± 0.012 Å |
| α | 90° |
| β | 116.078 ± 0.008° |
| γ | 90° |
| Cell volume | 2919 ± 4 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0461 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.0956 |
| Weighted residual factors for all reflections included in the refinement | 0.1055 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178740 (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 4/08/51. |
4085144.cif |
| 141396 | 2015-07-09 | cif/ Updating files of 4085143, 4085144 Original log message: Adding full bibliography for 4085143--4085144.cif. |
4085144.cif |
| 129255 | 2014-12-30 | cif/ Adding structures of 4085143, 4085144 via cif-deposit CGI script. |
4085144.cif |
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Users of the data should acknowledge the original authors of the
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