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Information card for entry 4122110
Preview
| Coordinates | 4122110.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C51 H72 Al Br Fe N4 O8 |
|---|---|
| Calculated formula | C51 H72 Al Br Fe N4 O8 |
| Title of publication | An elusive hydridoaluminum(i) complex for facile C-h and C-o bond activation of ethers and access to its isolable hydridogallium(i) analogue: syntheses, structures, and theoretical studies. |
| Authors of publication | Tan, Gengwen; Szilvási, Tibor; Inoue, Shigeyoshi; Blom, Burgert; Driess, Matthias |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 27 |
| Pages of publication | 9732 - 9742 |
| a | 14.5976 ± 0.0002 Å |
| b | 15.2398 ± 0.0002 Å |
| c | 23.99 ± 0.0003 Å |
| α | 90° |
| β | 100.199 ± 0.001° |
| γ | 90° |
| Cell volume | 5252.59 ± 0.12 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0737 |
| Residual factor for significantly intense reflections | 0.0582 |
| Weighted residual factors for significantly intense reflections | 0.166 |
| Weighted residual factors for all reflections included in the refinement | 0.1779 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4122110.cif |
| 179023 | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/21. |
4122110.cif |
| 121271 | 2014-08-05 | cif/ Updating files of 4122109, 4122110, 4122111, 4122112, 4122113, 4122114 Original log message: Adding full bibliography for 4122109--4122114.cif. |
4122110.cif |
| 118250 | 2014-06-28 | cif/ Adding structures of 4122109, 4122110, 4122111, 4122112, 4122113, 4122114 via cif-deposit CGI script. |
4122110.cif |
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Users of the data should acknowledge the original authors of the
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