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Information card for entry 4325119
Preview
| Coordinates | 4325119.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | di(Lithium tetrahydrofuran) Manganese(II) tetrakis(bistert-butyl ketimide) |
|---|---|
| Formula | C44 H88 Li2 Mn N4 O2 |
| Calculated formula | C44 H88 Li2 Mn N4 O2 |
| SMILES | [Mn]12([N](=C(C(C)(C)C)C(C)(C)C)[Li]([N]1=C(C(C)(C)C)C(C)(C)C)[O]1CCCC1)[N]([Li]([O]1CCCC1)[N]2=C(C(C)(C)C)C(C)(C)C)=C(C(C)(C)C)C(C)(C)C |
| Title of publication | Stabilizing High-Valent Metal Ions with a Ketimide Ligand Set: Synthesis of Mn(N=CtBu2)4 |
| Authors of publication | Richard A. Lewis; Guang Wu; Trevor W. Hayton |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 4660 - 4668 |
| a | 12.638 ± 0.004 Å |
| b | 19.844 ± 0.007 Å |
| c | 19.216 ± 0.007 Å |
| α | 90° |
| β | 96.517 ± 0.006° |
| γ | 90° |
| Cell volume | 4788 ± 3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0989 |
| Residual factor for significantly intense reflections | 0.0649 |
| Weighted residual factors for significantly intense reflections | 0.157 |
| Weighted residual factors for all reflections included in the refinement | 0.1847 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.173 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4325119.cif |
| 179354 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/51. |
4325119.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325119.cif |
| 43571 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4325119 via cif-deposit CGI script. |
4325119.cif |
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