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Information card for entry 4066342
Preview
| Coordinates | 4066342.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80 H120 Al4 N6 |
|---|---|
| Calculated formula | C80 H120 Al4 N6 |
| SMILES | [Al]123([Al]4([N]1([Al]15([Al]6([N]21C(=[N]6c1c(C(C)C)cccc1C(C)C)c1ccc(cc1)C(C)(C)C)(N5c1c(C(C)C)cccc1C(C)C)C)C)C(=[N]4c1c(cccc1C(C)C)C(C)C)c1ccc(cc1)C(C)(C)C)(N3c1c(C(C)C)cccc1C(C)C)C)C.C(CCC)CC |
| Title of publication | Reactions of an Aluminum Amide with Aromatic Nitriles: Formation of Al−N−C Frameworks |
| Authors of publication | Maheswari, K.; Rajendran, N. M.; Meyer, Jens; Reddy, N. Dastagiri |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 17 |
| Pages of publication | 3799 |
| a | 16.9091 ± 0.0005 Å |
| b | 18.1419 ± 0.0005 Å |
| c | 25.6946 ± 0.0008 Å |
| α | 90° |
| β | 95.189 ± 0.002° |
| γ | 90° |
| Cell volume | 7849.9 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1404 |
| Residual factor for significantly intense reflections | 0.0596 |
| Weighted residual factors for significantly intense reflections | 0.1344 |
| Weighted residual factors for all reflections included in the refinement | 0.1524 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.898 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178555 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/63. |
4066342.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066342.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066342.cif |
| 33865 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066340, 4066341, 4066342, 4066343, 4066344, 4066345, 4066346 via cif-deposit CGI script. |
4066342.cif |
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Users of the data should acknowledge the original authors of the
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