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Information card for entry 4085492
Preview
| Coordinates | 4085492.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C98 H128 Mg2 N8 O2 |
|---|---|
| Calculated formula | C98 H128 Mg2 N8 O2 |
| SMILES | [Mg]12([O]=C(NC34CC5CC(C3)CC(C4)C5)C3c4c(CN([Mg]5([O]=C(NC67CC8CC(C6)CC(C7)C8)C6c7c(CN2C=6)cccc7)N(C(=CC(=[N]5c2c(C(C)C)cccc2C(C)C)C)C)c2c(C(C)C)cccc2C(C)C)C=3)cccc4)N(C(=CC(=[N]1c1c(C(C)C)cccc1C(C)C)C)C)c1c(C(C)C)cccc1C(C)C |
| Title of publication | Kinetically Directed Reactivity of Magnesium Dihydropyridides with Organoisocyanates |
| Authors of publication | Hill, Michael S.; MacDougall, Dugald J.; Kociok-Köhn, Gabriele; Mahon, Mary F.; Weetman, Catherine |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 11 |
| Pages of publication | 2590 |
| a | 12.3522 ± 0.0001 Å |
| b | 29.625 ± 0.0003 Å |
| c | 23.9944 ± 0.0002 Å |
| α | 90° |
| β | 96.104 ± 0.001° |
| γ | 90° |
| Cell volume | 8730.58 ± 0.14 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0976 |
| Residual factor for significantly intense reflections | 0.0521 |
| Weighted residual factors for significantly intense reflections | 0.1136 |
| Weighted residual factors for all reflections included in the refinement | 0.1315 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178743 (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 4/08/54. |
4085492.cif |
| 140243 | 2015-07-05 | cif/ Updating files of 4085488, 4085489, 4085490, 4085491, 4085492 Original log message: Adding full bibliography for 4085488--4085492.cif. |
4085492.cif |
| 131610 | 2015-02-10 | cif/ Adding structures of 4085488, 4085489, 4085490, 4085491, 4085492 via cif-deposit CGI script. |
4085492.cif |
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Users of the data should acknowledge the original authors of the
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