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Information card for entry 4121678
Preview
| Coordinates | 4121678.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | B in manuscript |
|---|---|
| Formula | C40 H56 Cl N O P2 Ru |
| Calculated formula | C40 H56 Cl N O P2 Ru |
| Title of publication | Alcohol amination with ammonia catalyzed by an acridine-based ruthenium pincer complex: a mechanistic study. |
| Authors of publication | Ye, Xuan; Plessow, Philipp N.; Brinks, Marion K.; Schelwies, Mathias; Schaub, Thomas; Rominger, Frank; Paciello, Rocco; Limbach, Michael; Hofmann, Peter |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 16 |
| Pages of publication | 5923 - 5929 |
| a | 10.115 ± 0.0018 Å |
| b | 11.94 ± 0.002 Å |
| c | 17.117 ± 0.003 Å |
| α | 87.852 ± 0.003° |
| β | 76.963 ± 0.003° |
| γ | 68.835 ± 0.002° |
| Cell volume | 1875.9 ± 0.6 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0496 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.086 |
| Weighted residual factors for all reflections included in the refinement | 0.0925 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179018 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/16. |
4121678.cif |
| 112729 | 2014-05-04 | cif/ Updating files of 4121678, 4121679, 4121680, 4121681, 4121682 Original log message: Adding full bibliography for 4121678--4121682.cif. |
4121678.cif |
| 109511 | 2014-04-16 | cif/ Adding structures of 4121678, 4121679, 4121680, 4121681, 4121682 via cif-deposit CGI script. |
4121678.cif |
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Users of the data should acknowledge the original authors of the
structural data.