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Information card for entry 4123946
Preview
| Coordinates | 4123946.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | hj4008 |
|---|---|
| Formula | C57 H70 N2 O Ru Si |
| Calculated formula | C57 H70 N2 O Ru Si |
| SMILES | C1(N(c2c(C)cccc2C)C=CN1c1c(C)cccc1C)=[RuH2]1234([c]5(C)[c]1(C)[c]2(C)[c]3([c]45C)C)[Si]1(c2c(C(C)C)cc(C(C)C)cc2C(C)C)C(c2ccccc2)(c2ccccc2)O1 |
| Title of publication | Donor-Promoted 1,2-Hydrogen Migration from Silicon to a Saturated Ruthenium Center and Access to Silaoxiranyl and Silaiminyl Complexes. |
| Authors of publication | Liu, Hsueh-Ju; Landis, Clark; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 28 |
| Pages of publication | 9186 - 9194 |
| a | 16.5087 ± 0.001 Å |
| b | 22.9978 ± 0.0011 Å |
| c | 17.8555 ± 0.0009 Å |
| α | 90° |
| β | 108.957 ± 0.003° |
| γ | 90° |
| Cell volume | 6411.4 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0904 |
| Residual factor for significantly intense reflections | 0.0644 |
| Weighted residual factors for significantly intense reflections | 0.1311 |
| Weighted residual factors for all reflections included in the refinement | 0.1411 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
4123946.cif |
| 152857 | 2015-08-05 | cif/ Updating files of 4123944, 4123945, 4123946, 4123947 Original log message: Adding full bibliography for 4123944--4123947.cif. |
4123946.cif |
| 141519 | 2015-07-10 | cif/ Adding structures of 4123946 via cif-deposit CGI script. |
4123946.cif |
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Users of the data should acknowledge the original authors of the
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