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Information card for entry 4085722
Preview
| Coordinates | 4085722.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C73 H87 Fe N2 O2 P2 Si Y |
|---|---|
| Calculated formula | C73 H87 Fe N2 O2 P2 Si Y |
| SMILES | [Y]123([N]([c]45[cH]6[Fe]789%10%11%124([c]4([N]1=P(c1c(O3)c(cc(c1)C(C)(C)C)C(C)(C)C)(c1ccccc1)c1ccccc1)[cH]7[cH]8[cH]9[cH]%104)[cH]5[cH]%11[cH]6%12)=P(c1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)(c1ccccc1)c1ccccc1)C[Si](C)(C)C.Cc1ccccc1 |
| Title of publication | Yttrium-Alkyl Complexes Supported by a Ferrocene-Based Phosphinimine Ligand |
| Authors of publication | Brosmer, Jonathan L.; Diaconescu, Paula L. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 11 |
| Pages of publication | 2567 |
| a | 13.461 ± 0.005 Å |
| b | 14.486 ± 0.006 Å |
| c | 20.937 ± 0.008 Å |
| α | 92.576 ± 0.005° |
| β | 102.38 ± 0.005° |
| γ | 110.943 ± 0.004° |
| Cell volume | 3691 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0605 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.103 |
| Weighted residual factors for all reflections included in the refinement | 0.109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 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. |
4085722.cif |
| 154758 | 2015-09-06 | cif/ Updating files of 4085721, 4085722 Original log message: Adding full bibliography for 4085721--4085722.cif. |
4085722.cif |
| 136338 | 2015-05-13 | cif/ Adding structures of 4085721, 4085722 via cif-deposit CGI script. |
4085722.cif |
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Users of the data should acknowledge the original authors of the
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