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Information card for entry 4078869
Preview
| Coordinates | 4078869.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H76 Li2 Mg N4 Si4 |
|---|---|
| Calculated formula | C28 H76 Li2 Mg N4 Si4 |
| SMILES | [CH2]1([Si](C)(C)C)[Mg]2([CH2]([Si](C)(C)C)[Li]31[N](C)(CC[N]3(C)C)C)[CH2]([Si](C)(C)C)[Li]1([N](C)(C)CC[N]1(C)C)[CH2]2[Si](C)(C)C |
| Title of publication | Synthesis, Structural Elucidation, and Diffusion-Ordered NMR Studies of Homoleptic Alkyllithium Magnesiates: Donor-Controlled Structural Variations in Mixed-Metal Chemistry |
| Authors of publication | Baillie, Sharon E.; Clegg, William; Garc\?ía-Álvarez, Pablo; Hevia, Eva; Kennedy, Alan R.; Klett, Jan; Russo, Luca |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 14 |
| Pages of publication | 5131 |
| a | 11.1275 ± 0.0007 Å |
| b | 11.1275 ± 0.0007 Å |
| c | 36.035 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4461.9 ± 0.7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 96 |
| Hermann-Mauguin space group symbol | P 43 21 2 |
| Hall space group symbol | P 4nw 2abw |
| Residual factor for all reflections | 0.1544 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.0883 |
| Weighted residual factors for all reflections included in the refinement | 0.0991 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.695 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178677 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/88. |
4078869.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4078869.cif |
| 66421 | 2012-09-09 | cif/ Adding structures of 4078866, 4078867, 4078868, 4078869, 4078870, 4078871 via cif-deposit CGI script. |
4078869.cif |
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Users of the data should acknowledge the original authors of the
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