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Information card for entry 4085785
Preview
| Coordinates | 4085785.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (PNP-tBu)ScCl2 |
|---|---|
| Formula | C22 H42 Cl2 N P2 Sc |
| Calculated formula | C22 H42 Cl2 N P2 Sc |
| Title of publication | C‒H Bond Activations by Monoanionic, PNP-Supported Scandium Dialkyl Complexes |
| Authors of publication | Levine, Daniel S.; Tilley, T. Don; Andersen, Richard A. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 19 |
| Pages of publication | 4647 |
| a | 12.1315 ± 0.0005 Å |
| b | 27.926 ± 0.0012 Å |
| c | 15.9238 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5394.7 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0427 |
| Residual factor for significantly intense reflections | 0.0358 |
| Weighted residual factors for significantly intense reflections | 0.072 |
| Weighted residual factors for all reflections included in the refinement | 0.0752 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
4085785.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4085785.cif |
| 170109 | 2015-11-06 | cif/ Updating files of 4085784, 4085785, 4085786, 4085787, 4085788, 4085789, 4085790, 4085791, 4085792 Original log message: Adding full bibliography for 4085784--4085792.cif. |
4085785.cif |
| 136832 | 2015-05-18 | cif/ Adding structures of 4085784, 4085785, 4085786, 4085787, 4085788, 4085789, 4085790, 4085791, 4085792 via cif-deposit CGI script. |
4085785.cif |
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Users of the data should acknowledge the original authors of the
structural data.