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Information card for entry 7036477
Preview
| Coordinates | 7036477.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H90 Al2 N4 |
|---|---|
| Calculated formula | C68 H90 Al2 N4 |
| SMILES | [Al]1([N](c2c(cccc2C(C)C)C(C)C)=C(N1c1c(C(C)C)cccc1C(C)C)C)(/C(=C(/[Al]1([N](=C(N1c1c(C(C)C)cccc1C(C)C)C)c1c(C(C)C)cccc1C(C)C)C)c1ccccc1)c1ccccc1)C |
| Title of publication | Addition of in situ reduced amidinato-methylaluminium chloride to acetylenes. |
| Authors of publication | Chlupatý, T; Turek, J.; De Proft, F.; Růžičková, Z; Růžička, A |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 40 |
| Pages of publication | 17462 - 17466 |
| a | 20.482 ± 0.0017 Å |
| b | 16.156 ± 0.0007 Å |
| c | 20.007 ± 0.003 Å |
| α | 90° |
| β | 108.305 ± 0.01° |
| γ | 90° |
| Cell volume | 6285.5 ± 1.2 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 4 |
| 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 | 0.1101 |
| Residual factor for significantly intense reflections | 0.061 |
| Weighted residual factors for significantly intense reflections | 0.1174 |
| Weighted residual factors for all reflections included in the refinement | 0.1469 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.149 |
| 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. |
7036477.cif |
| 161909 | 2015-10-09 | cif/ Updating files of 7036477, 7036478, 7036479 Original log message: Adding full bibliography for 7036477--7036479.cif. |
7036477.cif |
| 155863 | 2015-09-11 | cif/ Adding structures of 7036477, 7036478, 7036479 via cif-deposit CGI script. |
7036477.cif |
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Users of the data should acknowledge the original authors of the
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