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Information card for entry 7037359
Preview
| Coordinates | 7037359.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C144 H212 Mg2 N8 Na2 O14 Si2 |
|---|---|
| Calculated formula | C144 H212 Mg2 N8 Na2 O14 Si2 |
| SMILES | c1c[n]2c3ccccc3[n]1[Mg]1(N(c3c(cccc3C(C)C)C(C)C)[Si](N1c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1)[n]1c3c([n]([Mg]42N(c2c(C(C)C)cccc2C(C)C)[Si](c2ccccc2)(c2ccccc2)N4c2c(C(C)C)cccc2C(C)C)cc1)cccc3.C1CCCO1.C1CCC[O]1[Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.[Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1 |
| Title of publication | Assessing the reactivity of sodium alkyl-magnesiates towards quinoxaline: single electron transfer (SET) vs. nucleophilic alkylation processes. |
| Authors of publication | Livingstone, Zoe; Hernán-Gómez, Alberto; Baillie, Sharon E.; Armstrong, David R.; Carrella, Luca M.; Clegg, William; Harrington, Ross W.; Kennedy, Alan R.; Rentschler, Eva; Hevia, Eva |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 14 |
| Pages of publication | 6175 - 6182 |
| a | 12.601 ± 0.007 Å |
| b | 15.449 ± 0.008 Å |
| c | 34.612 ± 0.019 Å |
| α | 90° |
| β | 92.851 ± 0.008° |
| γ | 90° |
| Cell volume | 6730 ± 6 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1908 |
| Residual factor for significantly intense reflections | 0.0973 |
| Weighted residual factors for significantly intense reflections | 0.2634 |
| Weighted residual factors for all reflections included in the refinement | 0.3319 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.6889 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181732 (current) | 2016-04-05 | cif/ Updating files of 7037359, 7037360, 7037361, 7037362 Original log message: Adding full bibliography for 7037359--7037362.cif. |
7037359.cif |
| 170438 | 2015-11-21 | cif/ Adding structures of 7037359, 7037360, 7037361, 7037362 via cif-deposit CGI script. |
7037359.cif |
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