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Information card for entry 1531038
Preview
| Coordinates | 1531038.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C107 H168 Fe2 N14 P2 Si6 |
|---|---|
| Calculated formula | C107 H168 Fe2 N14 P2 Si6 |
| Title of publication | Peripheral mechanism of a carbonyl hydrosilylation catalysed by an SiNSi iron pincer complex |
| Authors of publication | Metsänen, Toni T.; Gallego, Daniel; Szilvási, Tibor; Driess, Matthias; Oestreich, Martin |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 12 |
| Pages of publication | 7143 |
| a | 11.5288 ± 0.0005 Å |
| b | 12.5203 ± 0.0005 Å |
| c | 21.155 ± 0.0011 Å |
| α | 73.555 ± 0.004° |
| β | 75.604 ± 0.004° |
| γ | 74.65 ± 0.004° |
| Cell volume | 2774 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0635 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.1026 |
| Weighted residual factors for all reflections included in the refinement | 0.1162 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301778 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/53 Each referenced PubChem compound corresponds to the full crystal structure. |
1531038.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. |
1531038.cif |
| 170961 | 2015-12-09 | cif/ Updating files of 1531038 Original log message: Adding full bibliography for 1531038.cif. |
1531038.cif |
| 156307 | 2015-09-15 | cif/ Adding structures of 1531038 via cif-deposit CGI script. |
1531038.cif |
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Users of the data should acknowledge the original authors of the
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