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Information card for entry 4067696
Preview
| Coordinates | 4067696.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H78 Mg2 N6 Si6 |
|---|---|
| Calculated formula | C48 H78 Mg2 N6 Si6 |
| SMILES | [Mg]12([N](=C(c3ccccc3)C[Si](C)(C)C)[Mg]3([N]2=C(c2ccccc2)C[Si](C)(C)C)[N]([Si](C)(C)C)=C(N3[Si](C)(C)C)c2ccccc2)[N]([Si](C)(C)C)=C(N1[Si](C)(C)C)c1ccccc1 |
| Title of publication | Multistep Self-Assembly of Heteroleptic Magnesium and Sodium−Magnesium Benzamidinate Complexes |
| Authors of publication | Forret, Robert; Kennedy, Alan R.; Klett, Jan; Mulvey, Robert E.; Robertson, Stuart D. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 6 |
| Pages of publication | 1436 |
| a | 12.0416 ± 0.0002 Å |
| b | 17.7556 ± 0.0003 Å |
| c | 13.8627 ± 0.0002 Å |
| α | 90° |
| β | 97.955 ± 0.001° |
| γ | 90° |
| Cell volume | 2935.4 ± 0.08 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.038 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.0779 |
| Weighted residual factors for all reflections included in the refinement | 0.0795 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4067696.cif |
| 178567 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/76. |
4067696.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067696.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067696.cif |
| 34269 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067696, 4067697, 4067698 via cif-deposit CGI script. |
4067696.cif |
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