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Information card for entry 7054821
Preview
| Coordinates | 7054821.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H59 Ir Lu N3 Si |
|---|---|
| Calculated formula | C42 H57 Ir Lu N3 Si |
| SMILES | [Ir]12345(N(C(C)(C)C)[Lu]6789%10%11(N([Si]([CH2]16)(C)C)C(=CC(=[NH]7)c1ccccc1)c1ccccc1)[c]1([c]8([c]9([c]%11([c]%101C)C)C)C)C)[c]1([c]2([c]5([c]4([c]31C)C)C)C)C |
| Title of publication | Rare-earth‒iridium heterobimetallic complexes with bridging imido and silylmethyl ligands: synthesis, structure and reactivity |
| Authors of publication | Shima, Takanori; Yanagi, Takako; Hou, Zhaomin |
| Journal of publication | New J. Chem. |
| Year of publication | 2015 |
| Journal volume | 39 |
| Journal issue | 10 |
| Pages of publication | 7608 |
| a | 12.688 ± 0.007 Å |
| b | 15.745 ± 0.009 Å |
| c | 20.071 ± 0.011 Å |
| α | 90° |
| β | 95.867 ± 0.009° |
| γ | 90° |
| Cell volume | 3989 ± 4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.1017 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.0698 |
| Weighted residual factors for all reflections included in the refinement | 0.0824 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.963 |
| 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. |
7054821.cif |
| 162092 | 2015-10-09 | cif/ Updating files of 7054818, 7054819, 7054820, 7054821, 7054822 Original log message: Adding full bibliography for 7054818--7054822.cif. |
7054821.cif |
| 135964 | 2015-05-09 | cif/ Adding structures of 7054818, 7054819, 7054820, 7054821, 7054822 via cif-deposit CGI script. |
7054821.cif |
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Users of the data should acknowledge the original authors of the
structural data.