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Information card for entry 4084519
Preview
| Coordinates | 4084519.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C84 H128 Al2 Li2 |
|---|---|
| Calculated formula | C84 H128 Al2 Li2 |
| Title of publication | Hydroalumination of Alkenes and Alkynes by Primary Aluminum Hydrides under Mild Conditions |
| Authors of publication | Fettinger, James C.; Gray, Paul A.; Melton, Christopher E.; Power, Philip P. |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 21 |
| Pages of publication | 6232 |
| a | 16.1828 ± 0.0003 Å |
| b | 17.4407 ± 0.0003 Å |
| c | 27.6211 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7795.8 ± 0.2 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.044 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.1079 |
| Weighted residual factors for all reflections included in the refinement | 0.1112 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4084519.cif |
| 178734 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/45. |
4084519.cif |
| 127196 | 2014-11-12 | cif/ Updating files of 4084515, 4084516, 4084517, 4084518, 4084519, 4084520, 4084521 Original log message: Adding full bibliography for 4084515--4084521.cif. |
4084519.cif |
| 125473 | 2014-10-16 | cif/ Adding structures of 4084515, 4084516, 4084517, 4084518, 4084519, 4084520, 4084521 via cif-deposit CGI script. |
4084519.cif |
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Users of the data should acknowledge the original authors of the
structural data.