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Information card for entry 1557552
Preview
| Coordinates | 1557552.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C134 H184 Mg4 N12 O12 |
|---|---|
| Calculated formula | C102 H120 Mg4 N12 O4 |
| SMILES | CC1=[N](c2c(cccc2C)C)[Mg]23(N(C(=C1)C)c1c(cccc1C)C)[O]1C=C4[O]([Mg]5([n]6c4cc(N(C)C)cc6)N(C(=CC(=[N]5c4c(cccc4C)C)C)C)c4c(C)cccc4C)[Mg]41([N](=C(C)C=C(C)N4c1c(cccc1C)C)c1c(cccc1C)C)[O]2C=C1[O]3[Mg]2([n]3c1cc(N(C)C)cc3)N(C(=CC(=[N]2c1c(cccc1C)C)C)C)c1c(cccc1C)C |
| Title of publication | Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation |
| Authors of publication | Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 13 |
| Pages of publication | 3516 - 3522 |
| a | 15.48 ± 0.003 Å |
| b | 15.114 ± 0.003 Å |
| c | 27.505 ± 0.006 Å |
| α | 90° |
| β | 103.08 ± 0.03° |
| γ | 90° |
| Cell volume | 6268 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.2102 |
| Residual factor for significantly intense reflections | 0.1035 |
| Weighted residual factors for significantly intense reflections | 0.2942 |
| Weighted residual factors for all reflections included in the refinement | 0.3675 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.7109 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257347 (current) | 2020-10-06 | cif/ Updating files of 1557543, 1557544, 1557545, 1557546, 1557547, 1557548, 1557549, 1557550, 1557551, 1557552 Original log message: Adding full bibliography for 1557543--1557552.cif. |
1557552.cif |
| 250236 | 2020-04-05 | cif/ Updating files of 1557543, 1557544, 1557545, 1557546, 1557547, 1557548, 1557549, 1557550, 1557551, 1557552 Original log message: Adding full bibliography for 1557543--1557552.cif. |
1557552.cif |
| 249162 | 2020-03-07 | cif/ Adding structures of 1557543, 1557544, 1557545, 1557546, 1557547, 1557548, 1557549, 1557550, 1557551, 1557552 via cif-deposit CGI script. |
1557552.cif |
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Users of the data should acknowledge the original authors of the
structural data.