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Information card for entry 4085969
Preview
| Coordinates | 4085969.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78.5 H115 Co N3 O P3 Si Zr |
|---|---|
| Calculated formula | C78.5 H115 Co N3 O P3 Si Zr |
| Title of publication | Formation and Subsequent Reactivity of a N2-Stabilized Cobalt‒Hydride Complex |
| Authors of publication | Krogman, Jeremy P.; Foxman, Bruce M.; Thomas, Christine M. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 13 |
| Pages of publication | 3159 |
| a | 20.2235 ± 0.001 Å |
| b | 15.4327 ± 0.0009 Å |
| c | 24.6421 ± 0.0014 Å |
| α | 90° |
| β | 107.828 ± 0.002° |
| γ | 90° |
| Cell volume | 7321.6 ± 0.7 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0423 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for all reflections | 0.0953 |
| Weighted residual factors for significantly intense reflections | 0.0867 |
| Weighted residual factors for all reflections included in the refinement | 0.0953 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0207 |
| 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. |
4085969.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. |
4085969.cif |
| 152890 | 2015-08-05 | cif/ Updating files of 4085963, 4085964, 4085965, 4085966, 4085967, 4085968, 4085969 Original log message: Adding full bibliography for 4085963--4085969.cif. |
4085969.cif |
| 139655 | 2015-06-26 | cif/ Adding structures of 4085963, 4085964, 4085965, 4085966, 4085967, 4085968, 4085969 via cif-deposit CGI script. |
4085969.cif |
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Users of the data should acknowledge the original authors of the
structural data.