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Information card for entry 4078872
Preview
| Coordinates | 4078872.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70 H55 Al N4 O2 Si2 |
|---|---|
| Calculated formula | C70 H55 Al N4 O2 Si2 |
| SMILES | [Al]1234(Oc5c(C=[N]2c2cccc6ccc[n]1c26)cc(C)cc5[Si](c1ccccc1)(c1ccccc1)c1ccccc1)Oc1c(CN4c2cccc4ccc[n]3c24)cc(C)cc1[Si](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Meerwein‒Ponndorf‒Verley-Type Reduction Processes in Aluminum and Indium Isopropoxide Complexes of Imino-Phenolate Ligands |
| Authors of publication | Normand, Mickael; Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 15 |
| Pages of publication | 5511 |
| a | 11.4874 ± 0.0005 Å |
| b | 14.5877 ± 0.0006 Å |
| c | 20.6198 ± 0.001 Å |
| α | 110.077 ± 0.002° |
| β | 93.425 ± 0.002° |
| γ | 107.986 ± 0.002° |
| Cell volume | 3033.2 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0704 |
| Residual factor for significantly intense reflections | 0.0508 |
| Weighted residual factors for significantly intense reflections | 0.1392 |
| Weighted residual factors for all reflections included in the refinement | 0.1497 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178677 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/88. |
4078872.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4078872.cif |
| 66422 | 2012-09-09 | cif/ Adding structures of 4078872, 4078873, 4078874, 4078875 via cif-deposit CGI script. |
4078872.cif |
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Users of the data should acknowledge the original authors of the
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