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Information card for entry 4112820
Preview
| Coordinates | 4112820.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C59 H78 Al N3 |
|---|---|
| Calculated formula | C59 H78 Al N3 |
| SMILES | [Al]12(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)N1c3c(cccc3c3c(cccc3C(C)C)C(C)C)C3=C(C=C[C@@H]2[C@@]13C(C)C)C(C)C.[Al]12(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)N1c3c(cccc3c3c(cccc3C(C)C)C(C)C)C3=C(C=C[C@H]2[C@]13C(C)C)C(C)C |
| Title of publication | Two Types of Intramolecular Addition of an Al-N Multiple-Bonded Monomer LAlNAr' Arising from the Reaction of LAl with N3Ar' (L = HC[(CMe)(NAr)]2, Ar' = 2,6-Ar2C6H3, Ar = 2,6-iPr2C6H3) |
| Authors of publication | Hongping Zhu; Jianfang Chai; Vadapalli Chandrasekhar; Herbert W. Roesky; Jörg Magull; Denis Vidovic; Hans-Georg Schmidt; Mathias Noltemeyer; Philip P. Power; William A. Merrill |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2004 |
| Journal volume | 126 |
| Pages of publication | 9472 - 9473 |
| a | 12.3496 ± 0.0006 Å |
| b | 26.2644 ± 0.0015 Å |
| c | 16.0109 ± 0.0007 Å |
| α | 90° |
| β | 104.051 ± 0.004° |
| γ | 90° |
| Cell volume | 5037.8 ± 0.4 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 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 | 0.1059 |
| Residual factor for significantly intense reflections | 0.0633 |
| Weighted residual factors for significantly intense reflections | 0.136 |
| Weighted residual factors for all reflections included in the refinement | 0.1551 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178899 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/28. |
4112820.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4112820.cif |
| 65236 | 2012-09-05 | cif/ Adding structures of 4112820 via cif-deposit CGI script. |
4112820.cif |
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Users of the data should acknowledge the original authors of the
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