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Information card for entry 4067829
Preview
| Coordinates | 4067829.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C71 H84 Al3 Cl5 N6 |
|---|---|
| Calculated formula | C71 H84 Al3 Cl5 N6 |
| SMILES | Cl[Al]12[N]([Al](Cl)(Cl)[N](=C(N1[Al](Cl)(Cl)[N](=C(c1ccccc1)N2)c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1c(C(C)C)cccc1C(C)C)=C(Nc1c(cccc1C(C)C)C(C)C)c1ccccc1.c1c(cccc1)C.c1(ccccc1)C |
| Title of publication | Reactions of N-Monosubstituted Amidines with AlMe3and AlMeCl2: Formation of Fused Triazaalane Heterocycles |
| Authors of publication | Maheswari, K.; Reddy, N. Dastagiri |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 1 |
| Pages of publication | 197 |
| a | 14.8034 ± 0.0005 Å |
| b | 15.4522 ± 0.0006 Å |
| c | 17.9574 ± 0.0006 Å |
| α | 105.641 ± 0.003° |
| β | 108.308 ± 0.003° |
| γ | 104.256 ± 0.003° |
| Cell volume | 3500.6 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0818 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.1221 |
| Weighted residual factors for all reflections included in the refinement | 0.1312 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.969 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178569 (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 4/06/78. |
4067829.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067829.cif |
| 37993 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4067822, 4067823, 4067824, 4067825, 4067826, 4067827, 4067828, 4067829, 4067830, 4067831 via cif-deposit CGI script. |
4067829.cif |
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Users of the data should acknowledge the original authors of the
structural data.