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Information card for entry 4064836
Preview
| Coordinates | 4064836.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H44 Mg2 N4 |
|---|---|
| Calculated formula | C36 H44 Mg2 N4 |
| SMILES | [Mg]12([N](=C\c3ccccc3)/CC[N]2([Mg]2([N](=C\c3ccccc3)/CC[N]12[C@H](c1ccccc1)C)C)[C@H](c1ccccc1)C)C.[Mg]12([N](=C\c3ccccc3)/CC[N]2([Mg]2([N](=C\c3ccccc3)/CC[N]12[C@@H](c1ccccc1)C)C)[C@@H](c1ccccc1)C)C |
| Title of publication | Reactivity of Permethylated Magnesium Complexes toward β-Diimines |
| Authors of publication | Michel, Olaf; Yamamoto, Koji; Tsurugi, Hayato; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Mashima, Kazushi; Anwander, Reiner |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 14 |
| Pages of publication | 3818 |
| a | 8.9465 ± 0.0004 Å |
| b | 10.0006 ± 0.0004 Å |
| c | 19.4059 ± 0.0008 Å |
| α | 79.363 ± 0.001° |
| β | 82.65 ± 0.001° |
| γ | 73.638 ± 0.001° |
| Cell volume | 1631.99 ± 0.12 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0498 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0928 |
| Weighted residual factors for all reflections included in the refinement | 0.0992 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178542 (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 4/06/48. |
4064836.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064836.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064836.cif |
| 33061 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064835, 4064836, 4064837, 4064838, 4064839 via cif-deposit CGI script. |
4064836.cif |
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Users of the data should acknowledge the original authors of the
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