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Information card for entry 4087264
Preview
| Coordinates | 4087264.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H36 Mg N2 O2 |
|---|---|
| Calculated formula | C36 H36 Mg N2 O2 |
| SMILES | [Mg]([O]1CCCC1)([O]1CCCC1)(N1c2ccccc2C=Cc2c1cccc2)N1c2ccccc2C=Cc2c1cccc2 |
| Title of publication | s-Block Metal Dibenzoazepinate Complexes: Evidence for Mg‒Alkene Encapsulation |
| Authors of publication | Freitag, Benjamin; Elsen, Holger; Pahl, Jürgen; Ballmann, Gerd; Herrera, Alberto; Dorta, Romano; Harder, Sjoerd |
| Journal of publication | Organometallics |
| Year of publication | 2017 |
| Journal volume | 36 |
| Journal issue | 9 |
| Pages of publication | 1860 |
| a | 45.3947 ± 0.0011 Å |
| b | 10.3734 ± 0.0002 Å |
| c | 15.2106 ± 0.0004 Å |
| α | 90° |
| β | 98.106 ± 0.002° |
| γ | 90° |
| Cell volume | 7091.1 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0767 |
| Residual factor for significantly intense reflections | 0.0704 |
| Weighted residual factors for significantly intense reflections | 0.1757 |
| Weighted residual factors for all reflections included in the refinement | 0.1791 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204142 (current) | 2017-12-10 | cif/4/ Updating space group information in entries 4002697, 4029833, 4032889, 4032993, 4033074, 4079684, 4084156, 4084158, 4084161, 4084162, 4084163, 4085827, 4085828, 4085887, 4087264. |
4087264.cif |
| 197474 | 2017-06-05 | cif/ Updating files of 4087263, 4087264, 4087265, 4087266 Original log message: Adding full bibliography for 4087263--4087266.cif. |
4087264.cif |
| 195730 | 2017-04-25 | cif/ Adding structures of 4087263, 4087264, 4087265, 4087266 via cif-deposit CGI script. |
4087264.cif |
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Users of the data should acknowledge the original authors of the
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