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Information card for entry 4082791
Preview
| Coordinates | 4082791.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H53 Al N3 |
|---|---|
| Calculated formula | C37 H53 Al N3 |
| SMILES | [Al]12([n]3c(cccc3C(=[N]2c2c(cccc2C(C)C)C(C)C)C)C(=[N]1c1c(cccc1C(C)C)C(C)C)C)(CC)CC |
| Title of publication | Sequential Reduction and Alkyl Exchange Reactions of Bis(imino)pyridine Dialkyliron(II) with Trimethylaluminum |
| Authors of publication | Cartes, M. Ángeles; Rodr\?íguez-Delgado, Antonio; Palma, Pilar; Álvarez, Eleuterio; Cámpora, Juan |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 7 |
| Pages of publication | 1834 |
| a | 10.7021 ± 0.0014 Å |
| b | 23.504 ± 0.004 Å |
| c | 13.9848 ± 0.0017 Å |
| α | 90° |
| β | 103.522 ± 0.004° |
| γ | 90° |
| Cell volume | 3420.3 ± 0.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0838 |
| Residual factor for significantly intense reflections | 0.0415 |
| Weighted residual factors for significantly intense reflections | 0.1286 |
| Weighted residual factors for all reflections included in the refinement | 0.1664 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178716 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/27. |
4082791.cif |
| 109789 | 2014-04-17 | cif/ Updating files of 4082791 Original log message: Adding full bibliography for 4082791.cif. |
4082791.cif |
| 109780 | 2014-04-17 | cif/ (saulius@koala.ibt.lt) Restoring in bulk the COD CIFs that had their bibliographies update recently: svn merge -r109779:109651 . The problem was that: a) the COD deposition pipeline incorrectly folded some text fields; b) it removed last page number from some CIFs that had it before. An attempt to updated bibliographies will be repeated with corrected scripts. |
4082791.cif |
| 109654 | 2014-04-17 | cif/ Updating files of 4082791 Original log message: Adding full bibliography for ./tmp-cod-update-bibliographies-28993/cifs/4082791.cif. |
4082791.cif |
| 108663 | 2014-04-02 | cif/ Adding structures of 4082789, 4082790, 4082791 via cif-deposit CGI script. |
4082791.cif |
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Users of the data should acknowledge the original authors of the
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