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Information card for entry 4341568
Preview
| Coordinates | 4341568.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C71 H62 N2 |
|---|---|
| Calculated formula | C71 H62 N2 |
| SMILES | N(=C(C)\CC(=N\c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)\C)/c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1 |
| Title of publication | Mononuclear Three-Coordinate Magnesium Complexes of a Highly Sterically Encumbered β-Diketiminate Ligand. |
| Authors of publication | Arrowsmith, Merle; Maitland, Brant; Kociok-Köhn, Gabriele; Stasch, Andreas; Jones, Cameron; Hill, Michael S. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 19 |
| Pages of publication | 10543 - 10552 |
| a | 11.2164 ± 0.0012 Å |
| b | 13.1293 ± 0.0014 Å |
| c | 18.8572 ± 0.0018 Å |
| α | 72.216 ± 0.009° |
| β | 86.223 ± 0.008° |
| γ | 81.205 ± 0.009° |
| Cell volume | 2612.6 ± 0.5 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1481 |
| Residual factor for significantly intense reflections | 0.0686 |
| Weighted residual factors for significantly intense reflections | 0.1063 |
| Weighted residual factors for all reflections included in the refinement | 0.1418 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4341568.cif |
| 179518 | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/15. |
4341568.cif |
| 126720 | 2014-11-10 | cif/ Adding structures of 4341566, 4341567, 4341568, 4341569, 4341570, 4341571, 4341572, 4341573, 4341574 via cif-deposit CGI script. |
4341568.cif |
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Users of the data should acknowledge the original authors of the
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